SCHEMBL8440501

SCHEMBL8440501

CNc1ccc([N+](=O)[O-])cc1C#N

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.59
VCAM1 P19320 2/20 0.58
MAPT P10636 6/20 0.54
BCL6 P41182 1/20 0.53
BCOR Q6W2J9 1/20 0.53
ALDH1A1 P00352 9/20 0.52
LMNA P02545 4/20 0.52
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
XDH P47989 1/20 0.44
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43

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
SCHEMBL17194149 0.87 VCAM1 (0.54) RECQLVCAM1MAPTBCL6BCOR
SCHEMBL10617330 0.86 BCL6 (0.63) RECQLVCAM1MAPTBCL6BCOR
SCHEMBL9349737 0.83 VCAM1 (0.58) RECQLVCAM1MAPTBCL6BCOR
SCHEMBL29060813 0.83 VCAM1 (0.58) RECQLVCAM1MAPTBCL6BCOR
SCHEMBL29000056 0.83 VCAM1 (0.58) RECQLVCAM1MAPTBCL6BCOR
SCHEMBL11291067 0.82 VCAM1 (0.57) RECQLVCAM1MAPTBCL6BCOR
SCHEMBL2336518 0.81 RECQL (0.68) RECQLVCAM1MAPTBCL6BCOR
SCHEMBL1465485 0.80 MAPT (0.50) RECQLVCAM1MAPTALDH1A1LMNA
SCHEMBL6067789 0.78 MAPT (0.62) RECQLVCAM1MAPTBCL6BCOR
SCHEMBL73860 0.78 VCAM1 (0.70) RECQLVCAM1MAPTBCL6BCOR

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
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
US-5865856-A MIXTURE CONTAINING COUPLER AND DEVELOPER WELLA AKTIENGESELLSCHAFT (DE) 1999-02-02 US disclosed
EP-0797980-A1 Oxidation hair dye composition comprising a 2,5-diaminobenzonitrile as well as 2,5-diaminobenzonitrile compounds Wella Aktiengesellschaft (DE) 1997-10-01 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 (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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 RECQL 3913/4885VCAM1 2520/4885MAPT 3150/4885

“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.