SCHEMBL894793

SCHEMBL894793

CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
ALDH1A1 P00352 4/20 0.55
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
PKM P14618 1/20 0.54
HTT P42858 3/20 0.53
GAA P10253 1/20 0.53
NR1H3 Q13133 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL6534914 0.91 KMT2A (0.57) KMT2AMEN1ALDH1A1CA12CA9
SCHEMBL7330470 0.88 KMT2A (0.56) KMT2AMEN1CA12CA9PKM
SCHEMBL2520150 0.84 MEN1 (0.66) KMT2AMEN1ALDH1A1CA12CA9
SCHEMBL7335133 0.82 CA12 (0.57) KMT2AMEN1ALDH1A1CA12CA9
SCHEMBL8545063 0.82 KMT2A (0.51) KMT2AMEN1CA12CA9CA2
SCHEMBL7337429 0.82 KMT2A (0.54) KMT2AMEN1CA12CA9PKM
SCHEMBL7325171 0.82 KMT2A (0.51) KMT2AMEN1ALDH1A1CA12CA9
SCHEMBL2986907 0.81 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1PKMHTT
SCHEMBL29957869 0.80 CA12 (0.51) KMT2AMEN1ALDH1A1CA12CA9
SCHEMBL9299570 0.80 PKM (0.52) KMT2AMEN1ALDH1A1PKMHTT

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 8 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
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
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
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 KMT2A 2299/4885MEN1 3526/4885ALDH1A1 2193/4885

“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.