SCHEMBL4911079

SCHEMBL4911079

N#Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
LMNA P02545 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PTGS2 P35354 1/20 0.42
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.41

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
SCHEMBL7713481 0.84 HTT (0.50) HTTMAPTMEN1LMNAKMT2A
SCHEMBL29524029 0.80 HTT (0.43) HTTMAPTMEN1LMNAKMT2A
SCHEMBL2033581 0.77 TSHR (0.63) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4908932 0.76 KDM4E (0.49) HTTMAPTMEN1LMNAKMT2A
SCHEMBL11937730 0.75 XDH (0.55) XDH
SCHEMBL11606418 0.75 MEN1 (0.44) HTTMAPTMEN1LMNAKMT2A
SCHEMBL27330187 0.72 HTT (0.60) HTTMAPTMEN1LMNAKMT2A
SCHEMBL6641795 0.72 HTT (0.49) HTTMAPTMEN1LMNAKMT2A
SCHEMBL5860236 0.71 KMT2A (0.62) HTTMAPTMEN1KMT2ANPC1
SCHEMBL31148613 0.70 XDH (0.39) LMNACA12CA2CA9IKBKB

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 HTT 3944/4885MAPT 248/4885MEN1 1497/4885

“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.