SCHEMBL4566858

SCHEMBL4566858

Cc1ccc2cccn2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 10/20 0.38
NPC1 O15118 9/20 0.38
RAB9A P51151 9/20 0.38
GAA P10253 4/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM4E B2RXH2 10/20 0.36
HPGD P15428 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MEN1 O00255 2/20 0.35
PAX8 Q06710 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL321553 0.74 ALOX15 (0.48) ALOX15ALDH1A1NPC1RAB9AKDM4E
SCHEMBL12728749 0.73 ALOX15 (0.41) ALOX15ALDH1A1NPC1RAB9AGAA
SCHEMBL2008456 0.71 ALOX15 (0.50) ALOX15ALDH1A1NPC1RAB9AKDM4E
SCHEMBL276216 0.71 ALOX15 (0.50) ALOX15ALDH1A1NPC1RAB9ANFKB1
SCHEMBL20955977 0.71 ALOX15 (0.50) ALOX15ALDH1A1NPC1RAB9AGAA
SCHEMBL24097278 0.71 ALOX15 (0.50) ALOX15ALDH1A1NPC1RAB9ANFKB1
SCHEMBL276215 0.71 ALOX15 (0.50) ALOX15ALDH1A1NPC1RAB9AKDM4E
SCHEMBL2008459 0.71 ALOX15 (0.50) ALOX15ALDH1A1NPC1RAB9AKDM4E
SCHEMBL12872524 0.71 ALOX15 (0.44) ALOX15ALDH1A1NPC1RAB9AKDM4E
SCHEMBL17083596 0.71 ALOX15 (0.44) ALOX15ALDH1A1NPC1RAB9AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6572664-B2 Oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2003-06-03 US claimed
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same L'OREAL S.A. (FR) 2002-11-21 US claimed
US-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same BRETON PHILIPPE (FR) 2002-01-10 US claimed
EP-1129691-A2 Compositions for dyeing keratinous fibers containing indolizine derivatives and dyeing method using same L'OREAL (FR) 2001-09-05 EP claimed
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 EP disclosed
US-11807649-B2 Fused tetracyclic quinazoline derivatives as inhibitors of ErbB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
EP-3557998-B1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-08-16 EP disclosed
WO-2023125841-A1 HETEROCYCLIC COMPOUND AS POLθ INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-07-06 WO disclosed
US-20230167068-A1 BENZOPYRAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 US disclosed
EP-3733663-B1 1-[6-[[4-(PHENYLAMINO)-6-QUINAZOLINYL]OXY]-3-AZABICYCLO[3.1.1]HEPT-3-YL]-2-PROPEN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS IRREVERSIBLE INHIBITORS OF PAN-HER TYROSINE KINASE FOR THE TREATMENT OF CANCER CHENGDU JINRUI FOUND BIOTECH CO LTD (CN) 2023-05-17 EP disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20070191445-A1 heat shock protein 90 inhibitors; antiproliferative agents; angiogenesis inhibitors LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-08-16 US disclosed
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-04-19 US disclosed
US-6572664-B2 Oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2003-06-03 US disclosed
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same L'OREAL S.A. (FR) 2002-11-21 US disclosed
US-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same BRETON PHILIPPE (FR) 2002-01-10 US disclosed
EP-1129691-A2 Compositions for dyeing keratinous fibers containing indolizine derivatives and dyeing method using same L'OREAL (FR) 2001-09-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070191445-A1 heat shock protein 90 inhibitors; antiproliferative agents; angiogenesis inhibitors HSP90AB1, HSP90AA1, HSP90AB2P ALOX15 4030/4885ALDH1A1 1618/4885NPC1 1883/4885
US-20230167068-A1 BENZOPYRAZOLE COMPOUND ABCB1, CYP3A43, CYP3A5 ALOX15 2818/4885ALDH1A1 463/4885NPC1 237/4885
US-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same KRT18, INMT, IDO1 ALOX15 1936/4885ALDH1A1 897/4885NPC1 4832/4885
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same KRT18, INMT, IDO1 ALOX15 1936/4885ALDH1A1 897/4885NPC1 4832/4885
US-20080004277-A1 Triazole compounds that modulate HSP90 activity HSP90AB1, HSP90B1, HSP90AA1 ALOX15 3504/4885ALDH1A1 2165/4885NPC1 1235/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 ALOX15 2172/4885ALDH1A1 1036/4885NPC1 554/4885
US-11807649-B2 Fused tetracyclic quinazoline derivatives as inhibitors of ErbB2 ERBB2, ERBB3, BRCA1 ALOX15 4480/4885ALDH1A1 4139/4885NPC1 3640/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 ALOX15 4456/4885ALDH1A1 3447/4885NPC1 910/4885
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90B1 ALOX15 4595/4885ALDH1A1 1480/4885NPC1 1221/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.