SCHEMBL894635

SCHEMBL894635

CN(c1cccc(Nc2nc(Cl)ccc2C(N)=O)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.47
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 3/20 0.47
GPR27 Q9NS67 1/20 0.45
MAPT P10636 4/20 0.43
NR1H3 Q13133 2/20 0.43
NR1H2 P55055 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.42
ADRB2 P07550 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL10169400 0.89 LMNA (0.48) HTTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL893657 0.83 CAMK1D (0.44) HTTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL2714172 0.76 SYK (0.57) MAPK1
SCHEMBL894634 0.73 ALDH1A1 (0.45) LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL893867 0.71 SYK (0.51) GPR27
SCHEMBL6141196 0.68 MAPT (0.53) LMNASMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL25941912 0.68 KMT2A (0.43) HTTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10251065 0.67 AKR1C3 (0.51) ALDH1A1MAPTKMT2A
SCHEMBL27740152 0.67 PGR (0.63) HTTLMNASMN1; SMN2ALDH1A1GPR27
SCHEMBL894820 0.67 NR1H3 (0.56) HTTLMNASMN1; SMN2ALDH1A1MAPK1

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 9 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
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 HTT 3854/4885LMNA 3170/4885SMN1; SMN2 2328/4885

“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.