SCHEMBL3276281

SCHEMBL3276281

NC(=O)OCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
MAPT P10636 3/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
MAOB P27338 2/20 0.56
MAOA P21397 1/20 0.56
F2 P00734 1/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 3/20 0.54
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.52
PKM P14618 1/20 0.52

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
Toluene SCHEMBL28191452 0.91 RAB9A (0.56) RAB9ARXFP1MAPTKMT2AKDM4E
SCHEMBL7203836 0.87 RAB9A (0.60) RAB9ARXFP1MAPTKMT2AKDM4E
SCHEMBL28471002 0.86 MAOB (0.49) RAB9ARXFP1MAPTKMT2AKDM4E
SCHEMBL11632216 0.86 RAB9A (0.62) RAB9ARXFP1MAPTKMT2AKDM4E
SCHEMBL14774895 0.85 TSHR (0.51) RAB9ARXFP1MAPTKMT2AKDM4E
SCHEMBL1493670 0.84 KMT2A (0.60) RAB9ARXFP1MAPTKMT2AKDM4E
SCHEMBL3719794 0.84 MAOB (0.63) RAB9ARXFP1MAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL11632213 0.84 RAB9A (0.61) RAB9ARXFP1MAPTKMT2AKDM4E
SCHEMBL28145792 0.82 RAB9A (0.62) RAB9ARXFP1MAPTKMT2AKDM4E
SCHEMBL9677464 0.81 LMNA (0.48) KMT2AALDH1A1MAOBF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112566894-B Potent inhibitors of D-amino acid oxidase (DAAO) and uses thereof 心悦生医股份有限公司 2025-01-17 CN disclosed
CN-117964628-A Macrocyclic compounds as CDK9 inhibitors and application thereof 科辉智药生物科技(深圳)有限公司 2024-05-03 CN disclosed
CN-114945572-A HBF pharmacological inducing compounds for the treatment of sickle cell anemia and beta-thalassemia 刘扶东 2022-08-26 CN disclosed
CN-114929672-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2022-08-19 CN disclosed
CN-114746095-A HCK as therapeutic target of MYD88 mutant disease 达纳-法伯癌症研究所有限公司 2022-07-12 CN disclosed
CN-114727974-A HDAC6 inhibitors and uses thereof 艾科尼佐治疗股份有限公司 2022-07-08 CN disclosed
CN-113557017-A Inhibitors of cyclin-dependent kinase 7 and uses thereof 达纳-法伯癌症研究所股份有限公司 2021-10-26 CN disclosed
CN-107530329-B Pyrazolo [1, 5-a ] [1, 3, 5] triazine and pyrazolo [1, 5-a ] pyrimidine derivatives as CDK inhibitors 奥瑞基尼探索技术有限公司 2021-10-08 CN disclosed
CN-113278617-A Chiral design 波涛生命科学有限公司 2021-08-20 CN disclosed
CN-106068325-B Chiral design 波涛生命科学有限公司 2021-07-09 CN disclosed
US-7119188-B2 N-carbobenzyloxy (N-CBZ)-deprotecting enzyme and uses therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-10 US disclosed
US-20060149047-A1 N-CARBOBENZYLOXY (N-CBZ)-DEPROTECTING ENZYME AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2006-07-06 US disclosed
EP-1629087-A2 N-CARBOBENZYLOXY (N-CBZ)-DEPROTECTING ENZYME AND USES THEREFOR Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
WO-2005001047-A2 N-CARBOBENZYLOXY (N-CBZ)-DEPROTECTING ENZYME AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-06 WO disclosed
US-6828119-B2 Deprotecting a hydroxide or amine; obtain sample, incubate with enzyme, remoe protecting group, recover amine BRISTOL MYERS SQUIBB COMPANY 2004-12-07 US disclosed
EP-1348025-A2 ENZYMATIC DEPROTECTION OF AMINES AND HYDROXIDES Bristol-Myers Squibb Company (US) 2003-10-01 EP disclosed
EP-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
US-20020123110-A1 Enzymatic deprotection of amines and hydroxides BRISTOL-MYERS SQUIBB COMPANY 2002-09-05 US disclosed
WO-2002053724-A2 ENZYMATIC DEPROTECTION OF AMINES AND HYDROXIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-11 WO disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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-20060149047-A1 N-CARBOBENZYLOXY (N-CBZ)-DEPROTECTING ENZYME AND USES THEREFOR CMBL, BCHE, NOTUM RAB9A 4126/4885RXFP1 3933/4885MAPT 3352/4885

“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.