SCHEMBL898053

SCHEMBL898053

N#Cc1cc(Br)ccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.47
CYP2A6 P11509 3/20 0.41
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
PTPN1 P18031 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CHEK1 O14757 1/20 0.36
MCL1 Q07820 1/20 0.35
SLC1A5 Q15758 1/20 0.35
PIM3 Q86V86 2/20 0.34
LMNA P02545 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PIM1 P11309 1/20 0.33

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
SCHEMBL4973143 0.84 ERN1 (0.52) ERN1CYP2A6MAOBMAOAPTPN1
SCHEMBL30355307 0.78 RAD51 (0.43) CYP2A6ALDH1A1
SCHEMBL6901018 0.78 RAD51 (0.43) CYP2A6ALDH1A1
SCHEMBL20590003 0.78 ALDH1A1 (0.39) CYP2A6ALDH1A1
SCHEMBL24416800 0.76 KDM4E (0.47) MAOAALDH1A1MCL1LMNA
SCHEMBL1605954 0.76 HTR2A (0.41) ERN1MAOBMAOAPTPN1ALDH1A1
SCHEMBL29955194 0.76 TDP1 (0.55) ERN1CYP2A6MAOBMAOAPTPN1
SCHEMBL11358448 0.76 TDP1 (0.55) ERN1CYP2A6MAOBMAOAPTPN1
SCHEMBL583644 0.76 ALDH1A1 (0.42) ERN1CYP2A6MAOBMAOAALDH1A1
SCHEMBL29955930 0.76 ESR2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019142208-A1 AMBIENT TEMPERATURE CURABLE NON-ISOCYANATE POLYHYDROXYALKYLURETHANE MOIETIES WITH ALDEHYDE CROSS LINKER Asian Paints Ltd. (IN) 2019-07-25 WO claimed
US-20250270195-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2025-08-28 US disclosed
US-12338233-B2 PD-1/Pd-L1 inhibitors GILEAD SCIENCES, INC. (US) 2025-06-24 US disclosed
US-20250170138-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2025-05-29 US disclosed
US-12168016-B2 Aryl-OR heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2024-12-17 US disclosed
US-12168015-B2 Aryl-or heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2024-12-17 US disclosed
US-12161645-B2 Aryl-or heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2024-12-10 US disclosed
US-20240277723-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2024-08-22 US disclosed
US-20240245697-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2024-07-25 US disclosed
US-20240245698-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2024-07-25 US disclosed
US-9090562-B2 Aryl- or heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2015-07-28 US disclosed
US-20140288041-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds Epizyme, Inc. (US) 2014-09-25 US disclosed
US-8765732-B2 Aryl- or heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2014-07-01 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
EP-2697199-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-02-19 EP disclosed
US-20130123234-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-05-16 US disclosed
US-8410088-B2 Aryl- or heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2013-04-02 US disclosed
US-20120264734-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds Epizyme, Inc. 2012-10-18 US disclosed
WO-2012142504-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 WO disclosed
WO-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 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 (13 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-12168016-B2 Aryl-OR heteroaryl-substituted benzene compounds AHR, ARNT, CYP1B1 ERN1 4868/4885CYP2A6 19/4885MAOB 218/4885
US-20240245698-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 ERN1 4868/4885CYP2A6 19/4885MAOB 218/4885
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 ERN1 3690/4885CYP2A6 154/4885MAOB 3491/4885
US-20240277723-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 ERN1 4868/4885CYP2A6 19/4885MAOB 218/4885
US-12161645-B2 Aryl-or heteroaryl-substituted benzene compounds AHR, ARNT, CYP1B1 ERN1 4868/4885CYP2A6 19/4885MAOB 218/4885
US-12338233-B2 PD-1/Pd-L1 inhibitors PDCD1, CD274, PDCD1LG2 ERN1 3853/4885CYP2A6 3830/4885MAOB 1606/4885
US-20250170138-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 ERN1 4868/4885CYP2A6 19/4885MAOB 218/4885
US-20120264734-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds AHR, ARNT, CYP1B1 ERN1 4868/4885CYP2A6 19/4885MAOB 218/4885
US-20250270195-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 ERN1 3853/4885CYP2A6 3830/4885MAOB 1606/4885
US-20240245697-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 ERN1 4868/4885CYP2A6 19/4885MAOB 218/4885
US-20140288041-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds AHR, ARNT, CYP1B1 ERN1 4868/4885CYP2A6 19/4885MAOB 218/4885
US-20130123234-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds AHR, ARNT, CYP1B1 ERN1 4868/4885CYP2A6 19/4885MAOB 218/4885
US-12168015-B2 Aryl-or heteroaryl-substituted benzene compounds AHR, ARNT, CYP1B1 ERN1 4868/4885CYP2A6 19/4885MAOB 218/4885

“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.