SCHEMBL18555299

SCHEMBL18555299

COC(=O)c1ccc(Br)nc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 5/20 0.46
HSD17B10 Q99714 3/20 0.46
GLA P06280 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 3/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
CFTR P13569 2/20 0.46
ABL1 P00519 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 3/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41

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
SCHEMBL23797063 0.82 NNMT (0.53) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL20306004 0.81 ALDH1A1 (0.49) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL22658874 0.81 L3MBTL1 (0.45) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL29587479 0.81 L3MBTL1 (0.45) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL28251522 0.81 CA12 (0.35) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL29942878 0.80 KDM4E (0.54) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL22288456 0.80 GAA (0.51) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL1266209 0.80 KDM4E (0.54) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL14686821 0.80 NPC1 (0.54) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL14956928 0.80 ALDH1A1 (0.47) KDM4EALDH1A1GAAHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260098024-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA INC (US) 2026-04-09 US disclosed
US-20250346600-A1 TRICYCLIC DERIVATIVES AND RELATED USES MOMA THERAPEUTICS, INC. 2025-11-13 US disclosed
WO-2025054488-A1 TRICYCLIC DERIVATIVES AND RELATED USES MOMA THERAPEUTICS, INC. (US) 2025-03-13 WO disclosed
US-20240425501-A1 NOVEL BICYCLIC HETEROARYL DERIVATIVES AS SOS1:KRAS PROTEINPROTEIN INTERACTION INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2024-12-26 US disclosed
EP-4469449-A1 PARP1 INHIBITORS AND USES THEREOF Xinthera, Inc. (US) 2024-12-04 EP disclosed
US-12150937-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2024-11-26 US disclosed
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-11-12 US disclosed
CN-118510767-A PARP1 inhibitors and uses thereof 新特拉有限公司 2024-08-16 CN disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-07-11 US disclosed
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 US disclosed
US-20180305375-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-10-25 US disclosed
EP-3340981-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2018-07-04 EP disclosed
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
WO-2017035353-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
CN-101701031-A Polypeptide condensing agent and synthesis method thereof CHANGZHOU NANJING UNIVERSITY H 2010-05-05 CN 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 (11 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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 KDM4E 4387/4885ALDH1A1 1682/4885GAA 2150/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 KDM4E 4286/4885ALDH1A1 1847/4885GAA 2023/4885
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 KDM4E 4387/4885ALDH1A1 1682/4885GAA 2150/4885
US-20240425501-A1 NOVEL BICYCLIC HETEROARYL DERIVATIVES AS SOS1:KRAS PROTEINPROTEIN INTERACTION INHIBITORS KRAS, NRAS, SOS1 KDM4E 4573/4885ALDH1A1 3327/4885GAA 3552/4885
US-20260098024-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP16 KDM4E 1836/4885ALDH1A1 693/4885GAA 4388/4885
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 KDM4E 4387/4885ALDH1A1 1682/4885GAA 2150/4885
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 KDM4E 4387/4885ALDH1A1 1682/4885GAA 2150/4885
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 KDM4E 4387/4885ALDH1A1 1682/4885GAA 2150/4885
US-20250346600-A1 TRICYCLIC DERIVATIVES AND RELATED USES WRN, RECQL, BLM KDM4E 3487/4885ALDH1A1 1509/4885GAA 429/4885
US-12150937-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD KDM4E 3888/4885ALDH1A1 843/4885GAA 2894/4885
US-20180305375-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 KDM4E 4387/4885ALDH1A1 1682/4885GAA 2150/4885

“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.