SCHEMBL6181048

SCHEMBL6181048

CN(Cc1ccccc1-c1cnc(Nc2cccc([N+](=O)[O-])c2)o1)C(=O)CN

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 12/20 0.44
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
FLT1 P17948 3/20 0.38
FLT4 P35916 3/20 0.38
KDR P35968 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL6180926 0.86 FLT1 (0.46) IMPDH2ALDH1A1FLT1FLT4KDR
SCHEMBL2876223 0.85 AOC3 (0.44) IMPDH2FLT1FLT4KDR
SCHEMBL6182372 0.84 VCP (0.46) IMPDH2FLT1FLT4KDR
SCHEMBL6178869 0.83 FLT1 (0.53) IMPDH2FLT1FLT4KDR
SCHEMBL6179167 0.83 IMPDH2 (0.42) IMPDH2FLT1FLT4KDR
SCHEMBL6196840 0.82 IMPDH2 (0.51) IMPDH2
SCHEMBL6179818 0.81 IMPDH2 (0.45) IMPDH2
SCHEMBL6179950 0.80 IMPDH2 (0.43) IMPDH2FLT1FLT4KDR
SCHEMBL6196662 0.80 IMPDH2 (0.43) IMPDH2FLT1FLT4KDR
SCHEMBL6181196 0.79 IMPDH2 (0.43) IMPDH2MEN1RAB9AKMT2AFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448187-A4 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2005-05-25 EP claimed
EP-1448187-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Bristol-Myers Squibb Company (US) 2004-08-25 EP claimed
US-6596747-B2 For therapy of diseases associdated with Factor VIIa and or inosine monophosphate dehydrogenase (IMPDH) BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US claimed
WO-2003047512-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO claimed
US-20020143176-A1 Compounds derived from an amine nucleus and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 US claimed
US-6596747-B2 For therapy of diseases associdated with Factor VIIa and or inosine monophosphate dehydrogenase (IMPDH) BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US 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-20020143176-A1 Compounds derived from an amine nucleus and pharmaceutical compositions comprising same IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885MAPT 2853/4885ALDH1A1 71/4885

“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.