SCHEMBL4907556

SCHEMBL4907556

COCc1nc(CN)cn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MAPT P10636 6/20 0.38
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 3/20 0.36
PTGS2 P35354 1/20 0.36
PTK2 Q05397 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL4910027 0.88 MAPT (0.48) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL4912387 0.78 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5376248 0.74 MAPT (0.43) IDO1MEN1KMT2AMAPTLMNA
SCHEMBL2475033 0.69 GABRA5 (0.46) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5924379 0.66 CA2 (0.62) LOXL2PTGS2
SCHEMBL293415 0.65 IDO1 (0.66) IDO1RAB9ALOXL2MAPTLMNA
SCHEMBL5462191 0.64 MAPT (0.54) MEN1KMT2ANPC1RAB9AMAPT
Nitrefazole SCHEMBL1606941 0.62 LMNA (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL17978469 0.62 DDX3X (0.50) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL16553585 0.62 PTGS2 (0.47) MEN1KMT2AMAPTPOLBPTGS2

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 IDO1 991/4885MEN1 1497/4885KMT2A 2377/4885

“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.