SCHEMBL5163517

SCHEMBL5163517

CC(=O)Nc1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
HTT P42858 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 2/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 2/20 0.53
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 3/20 0.51
ALDH3A1 P30838 1/20 0.49
NPC1 O15118 1/20 0.49
MEN1 O00255 1/20 0.47
GALR2 O43603 1/20 0.46
MITF O75030 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
SCHEMBL6437317 0.87 NPSR1 (0.52) MAPTNPSR1HTTKMT2APOLB
SCHEMBL2282371 0.83 MAPT (0.68) MAPTNPSR1HTTKMT2APOLB
SCHEMBL694246 0.82 NPSR1 (0.66) MAPTNPSR1HTTKMT2APOLB
SCHEMBL29657482 0.82 MAPT (0.66) MAPTNPSR1HTTKMT2APOLB
SCHEMBL4835079 0.82 MAPT (0.66) MAPTNPSR1HTTKMT2APOLB
SCHEMBL12426042 0.82 HTT (0.82) MAPTNPSR1HTTKMT2APOLB
SCHEMBL1532370 0.82 MAPT (0.66) MAPTNPSR1HTTKMT2APOLB
SCHEMBL978546 0.81 MAPT (0.64) MAPTNPSR1HTTKMT2APOLB
SCHEMBL10712446 0.81 MAPT (0.64) MAPTNPSR1HTTKMT2APOLB
SCHEMBL571816 0.81 MAPT (0.64) MAPTNPSR1HTTKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US disclosed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO disclosed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP disclosed
US-4163059-A Pesticidally active 4,5-dichloro-3-substituted-phenylimino-1,2-dithiolenes BAYER AKTIENGESELLSCHAFT (DE) 1979-07-31 US disclosed
US-3957860-A SULFAMIC ACID CIBA-GEIGY AG (CH) 1976-05-18 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-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 MAPT 1737/4885NPSR1 4547/4885HTT 4516/4885

“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.