SCHEMBL10169499

SCHEMBL10169499

CC(C)c1cccc(N2C(=O)CCC2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
NOTUM Q6P988 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
MDM4 O15151 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
TYR P14679 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CA5A P35218 1/20 0.44
HTT P42858 1/20 0.44
MDM2 Q00987 1/20 0.44

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
SCHEMBL25766005 0.82 L3MBTL1 (0.53) L3MBTL1ALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL29749910 0.80 L3MBTL1 (0.73) L3MBTL1ALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL10224255 0.80 DRD2 (0.47) L3MBTL1ALDH1A1SMN1; SMN2TP53NOTUM
SCHEMBL9490679 0.80 MGLL (0.64) ALDH1A1SMN1; SMN2TP53NOTUMHDAC4
SCHEMBL22797019 0.79 DRD2 (0.49) ALDH1A1SMN1; SMN2TP53NOTUMHDAC4
SCHEMBL15295071 0.77 KMT2A (0.53) ALDH1A1HTTTDP1KMT2ANPSR1
SCHEMBL29382180 0.77 KMT2A (0.53) ALDH1A1HTTTDP1KMT2ANPSR1
SCHEMBL12545656 0.77 ALDH1A1 (0.57) L3MBTL1ALDH1A1SMN1; SMN2NOTUMHPGD
SCHEMBL10224198 0.76 ALDH1A1 (0.52) L3MBTL1ALDH1A1SMN1; SMN2NOTUMHPGD
SCHEMBL11787225 0.76 MEN1 (0.38) L3MBTL1ALDH1A1SMN1; SMN2TP53NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 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

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 L3MBTL1 4514/4885ALDH1A1 2193/4885SMN1; 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.