SCHEMBL895058

SCHEMBL895058

O=C(O)N1CCCC2(CC(c3ccccc3)=NO2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39
SSTR5 P35346 2/20 0.38
ALDH1A1 P00352 1/20 0.37
EPHX2 P34913 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL895701 0.84 SCD5 (0.48) CHRNB4CHRNA3
SCHEMBL16175725 0.84 CHRNB4 (0.47) CHRNB4CHRNA3CYP1A2POLBCYP2C19
SCHEMBL10210780 0.80 CHRNB4 (0.55) CHRNB4CHRNA3CYP1A2POLBCYP2C19
SCHEMBL5118051 0.77 MEN1 (0.52) CHRNB4CHRNA3CYP2C19ALDH1A1KMT2A
SCHEMBL10168605 0.77 CHRNB4 (0.52) CHRNB4CHRNA3CYP1A2POLBCYP2C19
SCHEMBL15838010 0.76 SCD5 (0.52)
Ammonia Solution, Strong SCHEMBL5123937 0.76 MEN1 (0.51) CHRNB4CHRNA3CYP2C19ALDH1A1KMT2A
SCHEMBL5049520 0.75 PDE4B (0.58)
SCHEMBL5116956 0.75 POLB (0.42) CHRNB4CHRNA3CYP1A2POLBCYP2C19
SCHEMBL5116953 0.75 POLB (0.42) CHRNB4CHRNA3CYP1A2POLBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440204-B1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-12-18 EP disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
EP-2440204-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS Bristol-Myers Squibb Company (US) 2012-04-18 EP disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
WO-2010144647-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-16 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT CHRNB4 2625/4885CHRNA3 2203/4885CYP1A2 3651/4885

“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.