SCHEMBL40266

SCHEMBL40266

Cc1cc(Cl)cc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 4/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
CYP3A4 P08684 1/20 0.41
NOTUM Q6P988 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CDK2 P24941 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39

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
SCHEMBL28979865 0.86 ALDH1A1 (0.46) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL1952775 0.82 ALDH1A1 (0.64) PKMALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL145816 0.82 KDM4E (0.52) PKMALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL30073838 0.82 KMT2A (0.42) ALDH1A1TSHRCYP1A2CYP2C19CYP3A4
SCHEMBL30073837 0.82 KMT2A (0.42) ALDH1A1TSHRCYP1A2CYP2C19CYP3A4
SCHEMBL3781263 0.81 TSHR (0.60) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL9651424 0.81 PKM (0.47) PKMALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL11042208 0.81 ALDH1A1 (0.49) PKMALDH1A1TSHRCYP3A4TP53
SCHEMBL7824318 0.81 TSHR (0.53) PKMALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL10387706 0.81 PKM (0.47) PKMALDH1A1TSHRCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118771987-A Preparation method of 2-nitro-3-methyl-5-chlorobenzoic acid 帕潘纳(北京)科技有限公司 2024-10-15 CN claimed
CN-115583895-B Synthetic method of 2-amino-5-chloro-N, 3-dimethylbenzamide 苏州开元民生科技股份有限公司 2023-04-07 CN claimed
CN-115583895-A Synthetic method of 2-amino-5-chloro-N, 3-dimethylbenzamide 苏州开元民生科技股份有限公司 2023-01-10 CN claimed
CN-118771987-A Preparation method of 2-nitro-3-methyl-5-chlorobenzoic acid 帕潘纳(北京)科技有限公司 2024-10-15 CN disclosed
CN-118771987-A Preparation method of 2-nitro-3-methyl-5-chlorobenzoic acid 帕潘纳(北京)科技有限公司 2024-10-15 CN disclosed
CN-118771987-A Preparation method of 2-nitro-3-methyl-5-chlorobenzoic acid 帕潘纳(北京)科技有限公司 2024-10-15 CN disclosed
CN-118439967-A Preparation method of 2-amino-5-chloro-N, 3-dimethylbenzamide 宁夏贝利特生物科技有限公司 2024-08-06 CN disclosed
CN-115583895-B Synthetic method of 2-amino-5-chloro-N, 3-dimethylbenzamide 苏州开元民生科技股份有限公司 2023-04-07 CN disclosed
CN-115583895-B Synthetic method of 2-amino-5-chloro-N, 3-dimethylbenzamide 苏州开元民生科技股份有限公司 2023-04-07 CN disclosed
CN-115583895-A Synthetic method of 2-amino-5-chloro-N, 3-dimethylbenzamide 苏州开元民生科技股份有限公司 2023-01-10 CN disclosed
CN-115583895-A Synthetic method of 2-amino-5-chloro-N, 3-dimethylbenzamide 苏州开元民生科技股份有限公司 2023-01-10 CN disclosed
CN-105859574-A Synthesis method of 2-amino-5-chloro-N,3-dimethylbenzamide 常州市阿曼特化工有限公司 2016-08-17 CN disclosed
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2477976-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-07-25 EP disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 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 (1 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-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E PKM 3668/4885ALDH1A1 1625/4885TSHR 3119/4885

“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.