SCHEMBL10169287

SCHEMBL10169287

CC(C)c1cccc2c1CCN(C(=O)c1ccccc1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.56
HSP90AB1 P08238 2/20 0.56
BCL2 P10415 1/20 0.50
HPGD P15428 7/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NAMPT P43490 3/20 0.48
LMNA P02545 1/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 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
SCHEMBL10169289 0.83 NOTUM (0.58) HSP90AA1HSP90AB1BCL2SMN1; SMN2LMNA
SCHEMBL10211721 0.82 HPGD (0.56) HPGDALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL29644419 0.82 NFE2L2 (0.49) HPGDALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL28739160 0.82 NFE2L2 (0.49) HPGDALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL3163275 0.81 HPGD (0.53) HSP90AA1HSP90AB1HPGDALDH1A1SMN1; SMN2
SCHEMBL13051864 0.80 HPGD (0.50) HPGDALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL28739037 0.80 ABHD6 (0.55) HPGDALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL29644341 0.80 ABHD6 (0.55) HPGDALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL29644302 0.78 KEAP1 (0.44) HPGDALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL28739132 0.78 KEAP1 (0.44) HPGDALDH1A1SMN1; SMN2NAMPTLMNA

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 2 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

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 HSP90AA1 1609/4885HSP90AB1 967/4885BCL2 1808/4885

“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.