SCHEMBL4908896

SCHEMBL4908896

Cc1cc(-n2cnc(C#N)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CTSB P07858 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL29447096 0.85 MAPT (0.44) MAPTHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL9699641 0.82 HPGD (0.51) MAPTHPGDTSHR
SCHEMBL28699464 0.79 MAPT (0.39) MAPTHPGDCTSBHTR2AHTR2C
SCHEMBL28703824 0.79 MAPT (0.39) MAPTHPGDCTSBHTR2AHTR2C
SCHEMBL1903855 0.77 GRIA1 (0.42) MAPT
SCHEMBL7325260 0.77 HPGD (0.46) MAPTHPGDTSHRSMN1; SMN2RAB9A
SCHEMBL7311809 0.76 HPGD (0.56) MAPTHPGDTSHRNPC1RAB9A
SCHEMBL4908615 0.75 HPGD (0.47) MAPTHPGDTSHRSMN1; SMN2NPC1
SCHEMBL19402259 0.73 CYP19A1 (0.41) MAPTHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL1839319 0.71 HPGD (0.51) MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 US disclosed
WO-2007025940-A1 SUBSTITUTED BIARYLS AND THEIR USE AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-08 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 MAPT 248/4885HPGD 4194/4885TSHR 1354/4885

“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.