SCHEMBL4566857

SCHEMBL4566857

Cc1cccn2cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 5/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 2/20 0.48
KLK7 P49862 1/20 0.48
TSHR P16473 2/20 0.40
ACHE P22303 1/20 0.40
CA2 P00918 2/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
ALKBH5 Q6P6C2 1/20 0.35
FTO Q9C0B1 1/20 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
SCHEMBL4397520 0.84 KDM4E (0.41) ALDH1A1KDM4EHPGDGAAKLK7
SCHEMBL8404405 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAAKLK7
SCHEMBL7170576 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGAAKLK7
SCHEMBL7167679 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDGAAKLK7
SCHEMBL4550275 0.72 SRC (0.51) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL10272961 0.72 QPCT (0.46) ALDH1A1KDM4EHPGDGAAKLK7
SCHEMBL8404411 0.70 TSHR (0.38) ALDH1A1KDM4EHPGDGAAKLK7
SCHEMBL12728779 0.69 KDM4E (0.41) ALDH1A1KDM4EHPGDGAAKLK7
SCHEMBL30220316 0.69 KDM4E (0.40) ALDH1A1KDM4EHPGDGAAKLK7
SCHEMBL8404406 0.67 PTPN1 (0.39) ALDH1A1KDM4EHPGDGAAKLK7

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 95 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-4306168-A2 ISOXAZOLINE COMPOSITIONS AND USE THEREOF IN THE PREVENTION OR TREATMENT OF PARASITE INFESTATIONS IN ANIMALS Intervet International B.V. (NL) 2024-01-17 EP disclosed
EP-4180434-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed
WO-2022241257-A1 NAMPT INHBITORS AND USES THEREOF REMEDY PLAN, INC. (US) 2022-11-17 WO disclosed
WO-2022212296-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. SHAW RESEARCH, LLC (US) 2022-10-06 WO disclosed
WO-2022007966-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川海思科制药有限公司 2022-01-13 WO disclosed
EP-3878281-A1 USE OF ISOXAZOLINE COMPOUNDS IN POULTRY Intervet International B.V. (NL) 2021-09-15 EP disclosed
US-10420711-B2 Dental adhesive with polymerizable basic monomers DENTSPLY SIRONA INC. (US) 2019-09-24 US disclosed
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US 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 (8 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 ALDH1A1 1618/4885KDM4E 3475/4885HPGD 724/4885
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 ALDH1A1 897/4885KDM4E 1225/4885HPGD 273/4885
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 ALDH1A1 897/4885KDM4E 1225/4885HPGD 273/4885
US-10420711-B2 Dental adhesive with polymerizable basic monomers CAD, ITGA2B, ITGA1 ALDH1A1 835/4885KDM4E 3793/4885HPGD 1421/4885
US-20080004277-A1 Triazole compounds that modulate HSP90 activity HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 2165/4885KDM4E 3468/4885HPGD 689/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 ALDH1A1 1036/4885KDM4E 2790/4885HPGD 210/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 ALDH1A1 774/4885KDM4E 3871/4885HPGD 179/4885
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90B1 ALDH1A1 1480/4885KDM4E 3212/4885HPGD 480/4885

“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.