SCHEMBL10189781

SCHEMBL10189781

O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.64
CA9 Q16790 3/20 0.64
SCN2A Q99250 2/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
GFER P55789 2/20 0.61
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALOX5 P09917 2/20 0.52
CXCR2 P25025 1/20 0.50
APP P05067 1/20 0.49
MAPT P10636 2/20 0.47
PTPN7 P35236 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
HSP90AA1 P07900 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PTGES O14684 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
SCHEMBL406359 0.87 CA12 (0.72) CA12CA9SCN2AMEN1KMT2A
SCHEMBL28911652 0.80 CA12 (0.70) CA12CA9SCN2ACA1CA2
SCHEMBL2132967 0.80 KMT2A (0.68) CA12CA9SCN2AMEN1KMT2A
SCHEMBL4779948 0.79 CA12 (0.68) CA12CA9SCN2AMEN1KMT2A
SCHEMBL9468420 0.79 SCN2A (0.74) CA12CA9SCN2AMEN1KMT2A
SCHEMBL4235219 0.78 CA9 (1.00) CA12CA9SCN2AMEN1KMT2A
SCHEMBL30118348 0.78 SCN2A (1.00) CA12CA9SCN2AMEN1KMT2A
SCHEMBL1973251 0.78 SCN2A (1.00) CA12CA9SCN2AMEN1KMT2A
SCHEMBL11689784 0.78 CA12 (0.67) CA12CA9SCN2ACA1CA2
SCHEMBL10240992 0.78 MEN1 (0.67) CA12CA9SCN2AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450348-B1 NOVEL DIARYLAMINE COMPOUND, AND ANTI-AGING AGENT, POLYMER COMPOSITION, CROSSLINKED RUBBER PRODUCT AND MOLDED ARTICLE THEREOF, AND METHOD FOR PRODUCING DIARYLAMINE COMPOUND ZEON CORP (JP) 2016-12-14 EP disclosed
US-8883888-B2 Diarylamine compounds, aging inhibitor, polymer composition, crosslinked rubber product and molded article of the crosslinked product, and method of producing diarylamine compound ZEON CORPORATION (JP) 2014-11-11 US disclosed
US-20120101196-A1 NOVEL DIARYLAMINE COMPOUNDS, AGING INHIBITOR, POLYMER COMPOSITION, CROSSLINKED RUBBER PRODUCT AND MOLDED ARTICLE OF THE CROSSLINKED PRODUCT, AND METHOD OF PRODUCING DIARYLAMINE COMPOUND ZEON CORPORATION (JP) 2012-04-26 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 (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-20120101196-A1 NOVEL DIARYLAMINE COMPOUNDS, AGING INHIBITOR, POLYMER COMPOSITION, CROSSLINKED RUBBER PRODUCT AND MOLDED ARTICLE OF THE CROSSLINKED PRODUCT, AND METHOD OF PRODUCING DIARYLAMINE COMPOUND CDKN1A, DDAH1, CCNI CA12 4843/4885CA9 4498/4885SCN2A 4422/4885

“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.