SCHEMBL7530694

SCHEMBL7530694

COc1cc(Cl)ccc1NC=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
TRPV4 Q9HBA0 1/20 0.46
LPAR1 Q92633 4/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 5/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.43
SRC P12931 1/20 0.41
ERN1 O75460 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNMA1 Q12791 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL1758548 0.86 KMT2A (0.57) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL17580571 0.81 P2RX3 (0.41) HTTLPAR1MEN1KMT2AALDH1A1
SCHEMBL2203559 0.80 ALDH1A1 (0.56) HTTALDH1A1LMNAMAPTGAA
SCHEMBL12157435 0.80 HTT (0.51) HTTLPAR1MEN1KMT2AALDH1A1
SCHEMBL6123236 0.79 HTT (0.50) HTTALDH1A1LMNAKDM4ENPSR1
SCHEMBL12946520 0.79 HTT (0.50) HTTLPAR1MEN1KMT2AALDH1A1
SCHEMBL28617698 0.78 HTT (0.47) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL15508018 0.78 KMT2A (0.39) HTTMEN1KMT2AALDH1A1TP53
SCHEMBL9281838 0.77 APP (0.51) TRPV4LPAR1MEN1KMT2AALDH1A1
SCHEMBL7530972 0.76 KDM4E (0.53) MEN1KMT2AALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-11897877-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-02-13 US disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 US disclosed
US-11046688-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-29 US disclosed
US-20200165241-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2020-05-28 US disclosed
US-10479788-B2 Compounds that inhibit MPS1 kinase CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-11-19 US disclosed
EP-3293183-B1 INHIBITOR COMPOUNDS CANCER RESEARCH TECH LTD (GB) 2019-07-24 EP disclosed
US-10280150-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors FORMA TM2, INC. (US) 2019-05-07 US disclosed
US-20180141944-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2018-05-24 US disclosed
US-9834552-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-12-05 US disclosed
EP-2892889-B1 INHIBITOR COMPOUNDS CANCER RES TECH LTD (GB) 2017-10-18 EP disclosed
US-9409907-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-09 US disclosed
US-20160222009-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-04 US disclosed
US-20160220570-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-04 US disclosed
US-20150239884-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-08-27 US disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO 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 (10 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-10479788-B2 Compounds that inhibit MPS1 kinase BUB1B, BUB1, CDK1 HTT 2631/4885TRPV4 3953/4885LPAR1 1170/4885
US-20220402912-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 HTT 2840/4885TRPV4 3815/4885LPAR1 1114/4885
US-20150239884-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 HTT 2840/4885TRPV4 3815/4885LPAR1 1114/4885
US-10280150-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors IDH1, IDH3A, IDH3B HTT 622/4885TRPV4 4877/4885LPAR1 4581/4885
US-11046688-B2 Inhibitor compounds BUB1B, BUB1, CDK1 HTT 2840/4885TRPV4 3815/4885LPAR1 1114/4885
US-20180141944-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 HTT 2840/4885TRPV4 3815/4885LPAR1 1114/4885
US-20160222009-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 HTT 2840/4885TRPV4 3815/4885LPAR1 1114/4885
US-11897877-B2 Inhibitor compounds BUB1B, BUB1, CDK1 HTT 2840/4885TRPV4 3815/4885LPAR1 1114/4885
US-20200165241-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 HTT 2840/4885TRPV4 3815/4885LPAR1 1114/4885
US-20160220570-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 HTT 2840/4885TRPV4 3815/4885LPAR1 1114/4885

“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.