SCHEMBL4908615

SCHEMBL4908615

Cc1cc(-n2cc(C#N)nc2Br)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
MAPT P10636 3/20 0.42
PTGS2 P35354 2/20 0.37
CTSB P07858 2/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.33
CCR6 P51684 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4901314 0.78 MEN1 (0.49) HPGDMAPTCTSBRAB9APOLB
SCHEMBL4908896 0.75 MAPT (0.46) HPGDMAPTCTSBTSHRNPC1
SCHEMBL23232884 0.74 PTGS2 (0.42) HPGDMAPTPTGS2NPC1RAB9A
SCHEMBL10462119 0.73 HPGD (0.52) HPGDMAPTTSHRNPC1RAB9A
SCHEMBL7323666 0.72 HPGD (0.51) HPGDMAPTTSHRNPC1RAB9A
SCHEMBL1026558 0.66 MAPT (0.64) HPGDMAPTTSHRRAB9AKMT2A
SCHEMBL6653754 0.66 HPGD (0.97) HPGDMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7311809 0.66 HPGD (0.56) HPGDMAPTTSHRNPC1RAB9A
SCHEMBL85896 0.65 HPGD (0.52) HPGDMAPTTSHRNPC1RAB9A
SCHEMBL12680066 0.65 HPGD (0.52) HPGDMAPTTSHRSMN1; SMN2KDM4E

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 HPGD 4194/4885MAPT 248/4885PTGS2 2008/4885

“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.