SCHEMBL2137454

SCHEMBL2137454

O=[N+]([O-])c1cc(Cc2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 3/20 0.52
TSHR P16473 2/20 0.52
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CALM1 P0DP23 1/20 0.48
RIPK1 Q13546 1/20 0.48
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
CYP19A1 P11511 1/20 0.46
ALOX5 P09917 2/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL5254416 0.87 CYP19A1 (0.59) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL29864638 0.86 TSHR (0.65) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL5250015 0.86 TSHR (0.65) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL11818781 0.85 TP53 (0.54) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL28218566 0.85 LTA4H (0.51) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL267666 0.83 ALDH1A1 (0.70) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL14782135 0.80 POLB (0.49) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL10918542 0.79 TSHR (0.71) ALDH1A1MEN1MAPTKMT2ALMNA
Bicarbonate SCHEMBL30096531 0.78 ALDH1A1 (0.64) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL7480367 0.78 ALDH1A1 (0.50) ALDH1A1MEN1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106543106-B N- benzyl benzamide compounds and preparation method thereof 浙江司太立制药股份有限公司 2018-10-30 CN disclosed
CN-106543106-A N benzyl benzamide compounds and preparation method thereof 浙江司太立制药股份有限公司 2017-03-29 CN disclosed
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 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 (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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR ALDH1A1 1191/4885MEN1 3325/4885MAPT 3403/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR ALDH1A1 1191/4885MEN1 3325/4885MAPT 3403/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR ALDH1A1 1191/4885MEN1 3325/4885MAPT 3403/4885

“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.