SCHEMBL2965629

SCHEMBL2965629

Cc1cccc(-c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.65
ALDH1A1 P00352 2/20 0.65
TSHR P16473 4/20 0.50
FBP1 P09467 1/20 0.50
ACHE P22303 1/20 0.50
MAOB P27338 1/20 0.49
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP3A4 P08684 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 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
SCHEMBL27575677 0.87 TSHR (0.54) TDP1ALDH1A1TSHRFBP1ACHE
SCHEMBL4142462 0.82 TDP1 (0.75) TDP1ALDH1A1MAOBHSD17B10NPC1
SCHEMBL8051514 0.81 ALDH1A1 (0.67) TDP1ALDH1A1TSHRNPC1RAB9A
SCHEMBL2954856 0.80 ALDH1A1 (0.71) TDP1ALDH1A1TSHRACHEMAOB
SCHEMBL23282563 0.79 ALDH1A1 (0.65) TDP1ALDH1A1MAOBHSD17B10NPC1
SCHEMBL10711666 0.79 ALDH1A1 (0.65) TDP1ALDH1A1TSHRHSD17B10NPC1
SCHEMBL2326639 0.79 TDP1 (0.65) TDP1ALDH1A1TSHRNPC1RAB9A
SCHEMBL2332272 0.79 TDP1 (0.65) TDP1ALDH1A1FBP1HSD17B10NPC1
SCHEMBL2331528 0.79 ALDH1A1 (0.65) TDP1ALDH1A1MAOBHSD17B10NPC1
SCHEMBL29475327 0.79 ALDH1A1 (0.65) TDP1ALDH1A1MAOBHSD17B10NPC1

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-104230719-B A kind of method preparing substituted biphenyl HUAZHONG NORMAL UNIVERSITY (CN) 2016-04-13 CN disclosed
CN-104230719-A Method for preparing substituted biphenyl UNIV HUAZHONG NORMAL 2014-12-24 CN disclosed
US-7772446-B2 Method for producing substituted biphenyls BASF SE (DE) 2010-08-10 US disclosed
EP-1856024-B1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF SE (DE) 2008-08-06 EP disclosed
US-20080183021-A1 Method for Producing Substituted Biphenyls BASF SE (DE) 2008-07-31 US disclosed
EP-1856024-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP disclosed
WO-2006092429-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCAHFT (DE) 2006-09-08 WO disclosed
US-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 US disclosed
US-6362380-B1 REACTING 2-NITROCHLOROBENZENE AND A BORONIC ACID ; PALLADIUM CATALYST BASF AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed
EP-1175406-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2002-01-30 EP disclosed
EP-0888261-B1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AG (DE) 2001-11-28 EP disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 WO disclosed
EP-0888261-A1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997033846-A1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 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-20080183021-A1 Method for Producing Substituted Biphenyls CBR3, DDT, HRH3 TDP1 1458/4885ALDH1A1 2309/4885TSHR 67/4885

“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.