Sugi Predict

Sugi Predict / Compounds / SCHEMBL2387448

SCHEMBL2387448

SCHEMBL2387448

Cn1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.44
▸ KMT2A Q03164 7/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ POLB P06746 4/20 0.40
▸ TOP1 P11387 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPSE Q9Y251 1/20 0.40
▸ HRAS P01112 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MITF O75030 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ SRC P12931 1/20 0.37

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
SCHEMBL6180353 1.00 AR (0.44) ARKMT2AMEN1POLBTOP1
Hydrochloric Acid SCHEMBL27492354 0.99 AR (0.43) ARKMT2AMEN1POLBTOP1
SCHEMBL10110882 0.89 AR (0.44) ARKMT2AMEN1POLBTOP1
SCHEMBL13224131 0.87 MEN1 (0.43) ARKMT2AMEN1POLBTOP1
SCHEMBL20485561 0.87 MEN1 (0.43) ARKMT2AMEN1POLBTOP1
SCHEMBL2393205 0.87 MEN1 (0.43) ARKMT2AMEN1POLBTOP1
SCHEMBL1662655 0.85 AR (0.51) ARKMT2AMEN1POLBALDH1A1
Hydrochloric Acid SCHEMBL6151019 0.84 AR (0.50) ARKMT2AMEN1POLBALDH1A1
SCHEMBL30644147 0.83 TOP1 (0.45) ARKMT2AMEN1POLBTOP1
SCHEMBL27272956 0.83 HRAS (0.47) ARKMT2APOLBTOP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF LEGOCHEM BIOSCIENCES, INC. (KR) 2023-10-05 — — US disclosed
CN-108368006-B DNA binding agents with minor groove binding tails 得克萨斯州大学系统董事会 2023-03-07 — — CN disclosed
US-11505617-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2022-11-22 — — US disclosed
CN-108727407-B Novel benzodiazepine derivatives 伊缪诺金公司 2022-01-28 — — CN disclosed
US-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-08-05 — — US disclosed
US-10947315-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2021-03-16 — — US disclosed
CN-105198908-B Novel benzodiazepine derivatives 伊缪诺金公司 2019-12-24 — — CN disclosed
US-20190276552-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2019-09-12 — — US disclosed
US-10208127-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-02-19 — — US disclosed
US-20180355055-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2018-12-13 — — US disclosed
CN-101723872-B Symmetric conjugate of polyamine and pyrrolepolyamide and preparation method thereof UNIV SOUTHERN MEDICAL 2011-09-14 — — CN disclosed
US-8017599-B2 Sequence selective pyrrole and imidazole polyamide metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2011-09-13 — — US disclosed
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC. (US) 2010-08-12 — — US disclosed
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC. (US) 2010-08-12 — — US disclosed
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC. (US) 2010-08-12 — — US disclosed
WO-2010091150-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2010-08-12 — — WO disclosed
WO-2010091150-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2010-08-12 — — WO disclosed
CN-101723872-A Symmetric conjugate of polyamine and pyrrolepolyamide and preparation method thereof UNIV SOUTHERN MEDICAL 2010-06-09 — — CN disclosed
US-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2007-11-15 — — US disclosed
US-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2007-11-15 — — 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 (9 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-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 AR 805/4885KMT2A 2090/4885MEN1 1702/4885
US-20180355055-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 AR 805/4885KMT2A 2090/4885MEN1 1702/4885
US-10208127-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 AR 805/4885KMT2A 1831/4885MEN1 1346/4885
US-20190276552-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 AR 805/4885KMT2A 2090/4885MEN1 1702/4885
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 AR 805/4885KMT2A 2090/4885MEN1 1702/4885
US-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes POLRMT, MPI, PPIF AR 4476/4885KMT2A 1205/4885MEN1 563/4885
US-11505617-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 AR 805/4885KMT2A 1831/4885MEN1 1346/4885
US-10947315-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 AR 805/4885KMT2A 1831/4885MEN1 1346/4885
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF BCR, PDCD1LG2, PRLHR AR 1926/4885KMT2A 1221/4885MEN1 2197/4885

“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.