SCHEMBL3987986

SCHEMBL3987986

Cc1cc2cc(C(=O)O)ccc2n1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 6/20 0.49
THRB P10828 2/20 0.49
RECQL P46063 2/20 0.48
HPGD P15428 6/20 0.47
ALOX15 P16050 5/20 0.47
HSD17B10 Q99714 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
GAA P10253 3/20 0.47
CASP1 P29466 1/20 0.47
HCAR3 P49019 1/20 0.46
MCL1 Q07820 1/20 0.46
RXRA P19793 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL30622485 1.00 KDM4E (0.55) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL13290538 0.86 KDM4E (0.46) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL14368266 0.86 MEN1 (0.51) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL4138884 0.84 KDM4E (0.60) KDM4EMEN1KMT2ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL19211741 0.83 KDM4E (0.58) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL5889548 0.82 KDM4E (0.68) KDM4EALDH1A1THRBHPGDHSD17B10
SCHEMBL28025054 0.82 MYC (0.45) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL553819 0.81 MEN1 (0.54) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL28323883 0.81 HCAR3 (0.49) KDM4EALDH1A1HPGDHSD17B10HCAR3
SCHEMBL28264561 0.81 MCL1 (0.53) KDM4EALDH1A1HPGDHSD17B10HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
WO-2023200441-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-19 WO disclosed
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-04-06 US disclosed
EP-3781570-A1 MACROCYCLIC INDOLES AS MCL-1 INHIBITORS Ascentage Pharma (Suzhou) Co., Ltd. (CN) 2021-02-24 EP disclosed
CN-109153643-A Substituted indole MCL-1 inhibitors 范德比尔特大学 2019-01-04 CN disclosed
CN-104812749-B Indolecarboxamide derivant as P2X7 receptor antagonist 埃科特莱茵药品有限公司 2016-12-14 CN disclosed
CN-105916841-A Functionalised and substituted indoles as anti-cancer agents 诺沃根公司 2016-08-31 CN disclosed
WO-2012170554-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG KAMENECKA THEODORE MARK (US) 2012-12-13 WO disclosed
WO-2012170561-A1 N-BENZYLINDOLE MODULATORS OF PPARG THE SCRIPPS RESEARCH INSTITUTE (T.S.R.I.) (US) 2012-12-13 WO disclosed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 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 (3 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 KDM4E 488/4885MEN1 1165/4885KMT2A 320/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDM4E 1156/4885MEN1 3549/4885KMT2A 824/4885
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 KDM4E 1648/4885MEN1 1038/4885KMT2A 2570/4885

“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.