SCHEMBL631453

SCHEMBL631453

NC(=O)c1cccc([N+](=O)[O-])c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 2/20 0.50
CTSD P07339 1/20 0.50
GPR35 Q9HC97 2/20 0.48
TDP1 Q9NUW8 3/20 0.45
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLAU P00749 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
PARP1 P09874 1/20 0.41
KMT2A Q03164 1/20 0.41
DNA2 P51530 1/20 0.41
CASP6 P55212 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
SCHEMBL8411975 0.87 TSHR (0.51) ALDH1A1LMNATSHRCTSDGPR35
SCHEMBL162559 0.85 TSHR (0.64) ALDH1A1LMNATSHRCTSDGPR35
SCHEMBL7907999 0.84 CTSD (0.53) ALDH1A1LMNATSHRCTSDGPR35
SCHEMBL11823030 0.84 GPR35 (0.47) ALDH1A1LMNATSHRCTSDGPR35
SCHEMBL30132307 0.84 TSHR (0.49) ALDH1A1LMNATSHRCTSDGPR35
SCHEMBL4154860 0.84 TSHR (0.49) ALDH1A1LMNATSHRCTSDGPR35
SCHEMBL1509449 0.84 TSHR (0.49) ALDH1A1LMNATSHRCTSDGPR35
SCHEMBL1509448 0.84 TSHR (0.62) ALDH1A1LMNATSHRCTSDGPR35
SCHEMBL1509450 0.84 TSHR (0.62) ALDH1A1LMNATSHRCTSDGPR35
SCHEMBL28935981 0.84 TSHR (0.62) ALDH1A1LMNATSHRCTSDGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116606256-A Benzimidazole-4-carboxamide derivatives with selective PARP-1 inhibition effect 山东大学 2023-08-18 CN disclosed
CN-113248482-B Compound containing benzo five-membered heterocyclic structure and preparation method and application thereof 中国药科大学 2022-08-26 CN disclosed
CN-114907269-A Benzimidazole-4-carboxamide derivative with piperazine as connecting group 南华大学 2022-08-16 CN disclosed
CN-109310607-B Use of azomethine-type compounds bearing quinoline derivative units for dyeing keratin fibres 莱雅公司 2022-04-15 CN disclosed
CN-113248482-A Compound containing benzo five-membered heterocyclic structure and preparation method and application thereof 中国药科大学 2021-08-13 CN disclosed
CN-109071509-A BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA 生命医药公司 2018-12-21 CN disclosed
CN-104926793-B Tumor-treating compound and application thereof 成都海创药业有限公司 2017-05-24 CN disclosed
CN-104961723-A 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBOTT LAB 2015-10-07 CN disclosed
CN-104926793-A Tumor-treating compound and application thereof HINOVA PHARMA INC 2015-09-23 CN disclosed
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
CN-1886115-A Use of peptides to protect skin from hair treatment agents WELLA AG (DE) 2006-12-27 CN disclosed
WO-2006110683-A1 2-SUBSTITUTED-1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE PARP INHIBITORS ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
WO-2006110816-A2 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
US-20060229351-A1 2-Substituted-1 H-benzimidazile-4-carboxamides are PARP inhibitors ABBVIE INC. 2006-10-12 US disclosed
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBVIE INC. 2006-10-12 US disclosed
EP-1622893-A1 NEW ALICYCLIC-AMINE-SUBSTITUTED 4-CARBOXAMIDO-BENZIMIDAZOLES AS PARP-INHIBITORS AND ANTIOXIDANTS Hideg, Kalman (HU) 2006-02-08 EP disclosed
WO-2004096793-A1 NEW ALICYCLIC-AMINE-SUBSTITUTED 4-CARBOXAMIDO-BENZIMIDAZOLES AS PARP-INHIBITORS AND ANTIOXIDANTS HIDEG KALMAN (HU) 2004-11-11 WO disclosed
US-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase AGOURON PHARMACEUTICALS, INC. 2004-02-19 US disclosed
WO-2003106430-A1 BENZIMIDAZOLE INHIBITORS OF POLY(ADP-RIBOSYL) POLYMERASE PFIZER INC. (US) 2003-12-24 WO disclosed
WO-2003007959-A1 QUINOXALINE DERIVATIVES WHICH HAVE PARP INHIBITORY ACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-30 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 (4 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-20060229351-A1 2-Substituted-1 H-benzimidazile-4-carboxamides are PARP inhibitors PARP1, PARP2, PARP4 ALDH1A1 233/4885LMNA 219/4885TSHR 4662/4885
US-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase PARP1, PARP11, PARP2 ALDH1A1 285/4885LMNA 894/4885TSHR 3644/4885
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 ALDH1A1 332/4885LMNA 238/4885TSHR 4740/4885
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS ABAT, AAK1, AGXT ALDH1A1 2355/4885LMNA 4583/4885TSHR 2283/4885

“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.