SCHEMBL1551187

SCHEMBL1551187

N#[N+]c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1B1 Q16678 1/20 0.37
IDO1 P14902 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PNMT P11086 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NOTUM Q6P988 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32

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
Hydrochloric Acid SCHEMBL11624287 0.97 AHR (0.42) AHRTP53TSHRHSD17B10CYP3A4
SCHEMBL1578248 0.91 AHR (0.37) AHRTP53TSHRHSD17B10CYP3A4
SCHEMBL826511 0.78 CD44 (0.39) TSHRCYP3A4
Hydrochloric Acid SCHEMBL7253226 0.77 HSD17B10 (0.48) TSHRHSD17B10CYP3A4ALDH1A1
Fluoride Ion SCHEMBL9740670 0.77 MEN1 (0.37) TSHRCYP3A4IDO1ALDH1A1
SCHEMBL2916024 0.74 AHR (0.43) AHRTP53TSHRHSD17B10CYP3A4
SCHEMBL9847915 0.73 MEN1 (0.35) TSHRCYP3A4ALDH1A1
SCHEMBL10524196 0.73 GAA (0.37) CYP3A4
Hydrochloric Acid SCHEMBL11331395 0.72 GAA (0.36) CYP3A4
SCHEMBL829160 0.72 CD44 (0.34)

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-107488113-B Method for synthesizing o-aminobiphenyl compound 上海泰禾国际贸易有限公司 2020-05-12 CN disclosed
CN-110590597-A Preparation method of aryltriazene compound 浙江工业大学 2019-12-20 CN disclosed
US-20150191493-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS Universite de Bordeaux (FR) 2015-07-09 US disclosed
CN-103517893-A Method for synthesizing aminobiphenyl BASF SE 2014-01-15 CN disclosed
US-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
US-8372837-B2 Pyridone and pyridazone analogues as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-12 US disclosed
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 US disclosed
CN-102159566-A Pyridone and pyridazone analogues as gpr119 modulators BRISTOL MYERS SQUIBB CO 2011-08-17 CN disclosed
EP-2313395-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2011-04-27 EP disclosed
WO-2010009183-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 WO disclosed
EP-0973724-B1 NOVEL PROCESS FOR THE PREPARATION OF (+/-)3- (3,4-DICHLOROPHENYL)-2- DIMETHYLAMINO-2-METHYLPROPAN-1-OL OR CERICLAMINE (INN) PARKE DAVIS (FR) 2003-10-01 EP disclosed
US-6121491-A Process for the preparation of (+/-)3-(3,4-dichlorophenyl)-2-dimethylamino-2-methylpropan-1-OL or cericlamine (INN) WARNER-LAMBERT COMPANY (US) 2000-09-19 US disclosed
EP-0973724-A1 NOVEL PROCESS FOR THE PREPARATION OF (+/-)3- (3,4-DICHLOROPHENYL)-2- DIMETHYLAMINO-2-METHYLPROPAN-1-OL OR CERICLAMINE (INN) PARKE-DAVIS (FR) 2000-01-26 EP disclosed
EP-0931103-A1 MONOMERS, OLIGOMERS AND POLYMERS WITH TERMINAL OXIRANE GROUPS, METHOD OF PREPARATION AND POLYMERISATION UNDER RADIATION EXPOSURE UCB, S.A. (BE) 1999-07-28 EP disclosed
WO-1998045248-A1 NOVEL PROCESS FOR THE PREPARATION OF (+/-)3- (3,4-DICHLOROPHENYL)-2- DIMETHYLAMINO-2-METHYLPROPAN-1-OL OR CERICLAMINE (INN) JOUVEINAL (FR) 1998-10-15 WO disclosed
WO-1998014497-A1 MONOMERS, OLIGOMERS AND POLYMERS WITH TERMINAL OXIRANE GROUPS, METHOD OF PREPARATION AND POLYMERISATION UNDER RADIATION EXPOSURE UCB, S.A. (BE) 1998-04-09 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 (3 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-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 AHR 544/4885TP53 3695/4885TSHR 118/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 AHR 538/4885TP53 3660/4885TSHR 118/4885
US-20150191493-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS NISCH, BRD7, BRSK2 AHR 24/4885TP53 4855/4885TSHR 1405/4885

“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.