SCHEMBL352850

SCHEMBL352850

c1coc(-c2ccno2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
HSD17B10 Q99714 5/20 0.48
KDM4E B2RXH2 5/20 0.48
POLB P06746 4/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PKM P14618 3/20 0.48
BLM P54132 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
HPGD P15428 3/20 0.48
ALOX15 P16050 2/20 0.48
CASP1 P29466 2/20 0.48
PTPN7 P35236 2/20 0.48
RECQL P46063 2/20 0.48
CASP7 P55210 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL14125002 0.80 NOTUM (0.56) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL1799678 0.77 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL11974601 0.67 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL11974594 0.67 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL17951449 0.67 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL11974593 0.67 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL11974592 0.67 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL9768763 0.67 NOTUM (0.77) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL11974595 0.67 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL11974596 0.67 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AHSD17B10KDM4E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4127157-B1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS ENCODIA INC (US) 2026-02-11 EP claimed
EP-0486782-A1 Improved process for the synthesis of alpha-((dialkylamino)substituted-methylene)-beta-oxo-(substituted) propanenitriles AMERICAN CYANAMID COMPANY (US) 1992-05-27 EP claimed
US-5103015-A 5-(substituted)isoxazole compounds AMERICAN CYANAMID COMPANY (US) 1992-04-07 US claimed
US-12404270-B2 Quinazoline derivatives as LPA receptor 2 inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2025-09-02 US disclosed
WO-2024045890-A1 PREPARATION METHOD FOR DENDRITIC CELL PROGENITORS AND CULTURE MEDIUM THEREOF 浙江吉量科技有限公司 2024-03-07 WO disclosed
US-20230063121-A1 QUINAZOLINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-03-02 US disclosed
CN-115087656-A ATF6 modulators and uses thereof 普拉西斯生物技术有限责任公司 2022-09-20 CN disclosed
US-9340517-B2 Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor MIMETICA PTY LTD (AU) 2016-05-17 US disclosed
US-20130225563-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2013-08-29 US disclosed
US-8377925-B2 Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor MIMETICA PTY LTD (AU) 2013-02-19 US disclosed
US-8343958-B2 3-aminoalkyl-1,4-diazepan-2-one melanocortin-5-receptor antagonists MIMETICA PTY LTD (AU) 2013-01-01 US disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
US-5103015-A 5-(substituted)isoxazole compounds AMERICAN CYANAMID COMPANY (US) 1992-04-07 US disclosed
US-5059709-A Reacting substituted isoxazole with dialkylamide dimethylacetal; anxiolytic agents AMERICAN CYANAMID COMPANY (US) 1991-10-22 US 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 (6 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-12404270-B2 Quinazoline derivatives as LPA receptor 2 inhibitors LPAR2, LPAR1, LPAR5 ALDH1A1 2204/4885NPC1 571/4885RAB9A 700/4885
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA ALDH1A1 2806/4885NPC1 3444/4885RAB9A 1714/4885
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R ALDH1A1 2828/4885NPC1 2059/4885RAB9A 3118/4885
US-20130225563-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R ALDH1A1 2828/4885NPC1 2059/4885RAB9A 3118/4885
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MC5R, MC1R, MC3R ALDH1A1 2040/4885NPC1 1978/4885RAB9A 2874/4885
US-20230063121-A1 QUINAZOLINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS LPAR2, LPAR1, LPAR5 ALDH1A1 2204/4885NPC1 571/4885RAB9A 700/4885

“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.