SCHEMBL7401252

SCHEMBL7401252

CC(Br)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.49
HTR2A P28223 1/20 0.48
HSPB1 P04792 1/20 0.47
HSD17B10 Q99714 4/20 0.47
ACHE P22303 2/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46

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
SCHEMBL4778707 0.84 KMT2A (0.67) MEN1KMT2AHTTNPC1MAPT
SCHEMBL9320810 0.84 MEN1 (0.54) MEN1KMT2AHTTNPC1MAPT
SCHEMBL9386790 0.81 MEN1 (0.55) MEN1KMT2AHTTNPC1MAPT
SCHEMBL9384682 0.81 MEN1 (0.51) MEN1KMT2AHTTNPC1MAPT
SCHEMBL21633908 0.81 MEN1 (0.51) MEN1KMT2AHTTNPC1MAPT
SCHEMBL16455142 0.81 LMNA (0.52) MEN1KMT2AHTTNPC1MAPT
SCHEMBL8213338 0.80 HTR2A (0.48) MEN1KMT2AHTTNPC1MAPT
SCHEMBL11582009 0.79 HSPB1 (0.53) MEN1KMT2AHTTNPC1MAPT
Ammonia Solution, Strong SCHEMBL28128418 0.79 MEN1 (0.54) MEN1KMT2AHTTNPC1MAPT
SCHEMBL8957371 0.79 MEN1 (0.47) MEN1KMT2AHTTNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 CN disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
CN-107759477-A A kind of preparation method of p-nitrophenyl ethylamine hydrochloride 阿里化学(常州)有限公司 2018-03-06 CN disclosed
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES. LTD. (JP) 2016-09-15 US disclosed
CN-102060765-A Tetrahydroisoquinoline derivative, preparation method and application thereof UNIV CHINA PHARMA 2011-05-18 CN disclosed
CN-1697828-A New compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them REDDYS LAB LTD DR (IN) 2005-11-16 CN disclosed
CN-1305462-A 1,5 and 3-O-substituted 1H-indazoles with antiasthmatic, antiallergic, antiinflammatory, immunomodulating and neuroprotective action, process for their preparation and their use as medicaments DRESDEN ARZNEIMITTEL (DE) 2001-07-25 CN disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023215-A1 2-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 EP 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 (2 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-10023530-B2 Diamine, polyamic acid, and polyimide H1-2, H1-4, H1-0 MEN1 395/4885KMT2A 399/4885HTT 1147/4885
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE H1-4, H1-2, H1-5 MEN1 362/4885KMT2A 341/4885HTT 1529/4885

“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.