SCHEMBL487510

SCHEMBL487510

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
TDP1 Q9NUW8 5/20 0.54
TSHR P16473 8/20 0.50
CYP3A4 P08684 4/20 0.50
RECQL P46063 1/20 0.50
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10143034 0.86 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL28531673 0.86 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL27565474 0.81 ALDH1A1 (0.40) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL1820951 0.80 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP3A4MEN1
SCHEMBL8440730 0.78 TSHR (0.58) ALDH1A1TDP1TSHRCYP3A4MEN1
SCHEMBL28420852 0.77 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL11323444 0.76 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4MEN1
SCHEMBL487041 0.76 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL540061 0.76 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4NPC1
SCHEMBL3781263 0.76 TSHR (0.60) ALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103508960-B Benzheterocyclic derivatives 江苏先声药业有限公司 2017-12-12 CN disclosed
US-8106079-B2 Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2012-01-31 US disclosed
US-7816552-B2 Intermediate of 6-substituted 1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2010-10-19 US disclosed
US-20100234612-A1 Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2010-09-16 US disclosed
US-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
EP-1668002-B1 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARM INC (US) 2009-11-11 EP disclosed
US-7601870-B2 Such as Hexanoic acid (4-bromo-2,6-dimethyl-phenyl)-amide; potassium channel modulators; epilepsy H. LUNDBECK A/S (DK) 2009-10-13 US disclosed
US-20090023929-A1 Intermediate of 6-Substituted 1-Methyl-1-H-Benzimidazole Derivative and Method for Producing Same SANKYO COMPANY, LIMITED (JP) 2009-01-22 US disclosed
CN-101056845-A Substituted aniline derivatives LUNDBECK & CO AS H (DK) 2007-10-17 CN disclosed
CN-101031565-A Substituted 2H-1, 3-benzoxazin-4 (3H) -ones PORTOLA PHARM INC (US) 2007-09-05 CN disclosed
EP-0588060-B1 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0753505-A2 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-01-15 EP disclosed
US-5536878-A HYDROGEN ACCEPTOR MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-16 US disclosed
US-5382690-A Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-01-17 US disclosed
EP-0588060-A2 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-03-23 EP disclosed
EP-0387106-B1 Novel diamine compounds, production of the same and polyamideimide resins produced therefrom TOMOEGAWA PAPER CO LTD (JP) 1994-02-02 EP disclosed
US-5019642-A Novel diamine compounds, production of the same and polyamideimide resins produced therefrom TOMOEGAWA PAPER CO., LTD. (JP) 1991-05-28 US disclosed
EP-0387106-A1 Novel diamine compounds, production of the same and polyamideimide resins produced therefrom TOMOEGAWA PAPER CO. LTD. (JP) 1990-09-12 EP disclosed
EP-0103990-A1 Process for making diarylamines UNIROYAL, INC. (US) 1984-03-28 EP disclosed
US-4431841-A REACTING PRIMARY AROMATIC AMINES AND ALICYCLIC KETONES USING AN ACID PROMOTER AND A PLATINUM CATALYST UNIROYAL, INC. (US) 1984-02-14 US 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-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES NDUFS3, NAT1, PRMT3 ALDH1A1 206/4885TDP1 1999/4885TSHR 700/4885
US-20090023929-A1 Intermediate of 6-Substituted 1-Methyl-1-H-Benzimidazole Derivative and Method for Producing Same AZI2, CYC1, CCNI ALDH1A1 928/4885TDP1 2994/4885TSHR 3836/4885
US-20100234612-A1 Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same CYC1, CYP2B6, COX6B1 ALDH1A1 668/4885TDP1 3676/4885TSHR 3351/4885

“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.