SCHEMBL177003

SCHEMBL177003

COC(=O)c1cc(N)cc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 3/20 0.51
MEN1 O00255 1/20 0.51
XBP1 P17861 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ATAD2 Q6PL18 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ABL1 P00519 1/20 0.49
GAA P10253 5/20 0.48
KDM4E B2RXH2 4/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 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
Trifluoroacetic Acid SCHEMBL176992 0.88 ATAD2 (0.44) ALDH1A1MAPTHPGDMEN1XBP1
SCHEMBL588343 0.87 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMEN1XBP1
SCHEMBL654773 0.87 CA1 (0.58) ALDH1A1MAPTHPGDATAD2CA12
SCHEMBL111187 0.87 CA12 (0.58) ALDH1A1MAPTHPGDATAD2CA12
SCHEMBL67540 0.87 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMEN1XBP1
Hydrochloric Acid SCHEMBL111186 0.85 CA12 (0.56) ALDH1A1MAPTHPGDATAD2CA12
Hydrochloric Acid SCHEMBL9494959 0.85 CA1 (0.56) ALDH1A1MAPTHPGDATAD2CA12
SCHEMBL28078656 0.84 CYP3A4 (0.46) ALDH1A1MAPTHPGDMEN1XBP1
SCHEMBL3489722 0.82 ALDH1A1 (0.54) ALDH1A1MAPTHPGDMEN1XBP1
SCHEMBL28312240 0.82 CA12 (0.48) ALDH1A1MAPTHPGDMEN1XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969925-B Heteroaryl-triazole compounds BAYER AG (DE) 2026-05-26 CN disclosed
US-12398097-B2 WDR5-MYC inhibitors VANDERBILT UNIVERSITY (US) 2025-08-26 US disclosed
US-20250066332-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2025-02-27 US disclosed
US-12195472-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2025-01-14 US disclosed
US-12187705-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2025-01-07 US disclosed
US-20240199572-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-20 US disclosed
EP-4308554-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA The Board of Trustees of the University of Illinois (US) 2024-01-24 EP disclosed
CN-116969925-A Heteroaryl-triazole compounds 拜耳公司 2023-10-31 CN disclosed
CN-116925043-A Heteroaryl-triazole compounds 拜耳公司 2023-10-24 CN disclosed
EP-3904349-B1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}HETEROCYCLYL AMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-08-23 EP disclosed
EP-1828172-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 2007-09-05 EP disclosed
CN-101031541-A 4-aminomethyl benzamidine derivatives and their use as factor VIIIa inhibitors HOFFMANN LA ROCHE (CH) 2007-09-05 CN disclosed
EP-1791810-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIA INHIBITORS F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
EP-1775283-A1 3-AMINOBENAMIDE COMPOUND AND VANILLOID RECEPTOR 1 (VR1) ACTIVITY INHIBITOR Japan Tobacco, Inc. (JP) 2007-04-18 EP disclosed
WO-2007028789-A1 QUINAZOLINE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
WO-2006063763-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-22 WO disclosed
US-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 US disclosed
WO-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 WO disclosed
US-20060035939-A1 3-Aminobenzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity JAPAN TOBACCO INC. (JP) 2006-02-16 US disclosed
US-4104049-A Chlorine-substituted vinylaminobenzoic acid compounds and plant growth regulant compositions BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 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 (7 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-20060035939-A1 3-Aminobenzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity TRPV1, TRPV6, TRPV3 ALDH1A1 1481/4885MAPT 4765/4885HPGD 2583/4885
US-12187705-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides CYP4F3, TARS2, H1-3 ALDH1A1 4008/4885MAPT 3403/4885HPGD 4319/4885
US-20240199572-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA SREBF2, SREBF1, SLC2A2 ALDH1A1 2469/4885MAPT 107/4885HPGD 1403/4885
US-12195472-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 ALDH1A1 1900/4885MAPT 3014/4885HPGD 3158/4885
US-12398097-B2 WDR5-MYC inhibitors MYC, WDR5, MYCBP ALDH1A1 3953/4885MAPT 1222/4885HPGD 4416/4885
US-20250066332-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, H1-3 ALDH1A1 4004/4885MAPT 3196/4885HPGD 4519/4885
US-20060116410-A1 4-Aminomethyl benzamidine derivatives F7, HABP2, F12 ALDH1A1 965/4885MAPT 4621/4885HPGD 1587/4885

“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.