SCHEMBL10169501

SCHEMBL10169501

CC(C)c1cccc(N(S(=O)(=O)CCCCl)S(=O)(=O)CCCCl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
HDAC4 P56524 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
TP53 P04637 2/20 0.34
CA2 P00918 2/20 0.34
MDM4 O15151 1/20 0.34
CA1 P00915 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
TYR P14679 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CA5A P35218 1/20 0.34
HTT P42858 1/20 0.34
MDM2 Q00987 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL10210903 0.81 LMNA (0.43) ALDH1A1SMN1; SMN2LMNATP53CYP3A4
SCHEMBL21102637 0.75 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2HDAC4HDAC8
SCHEMBL6248717 0.74 ALDH1A1 (0.42) ALDH1A1LMNACA2CA1CA9
SCHEMBL10169503 0.71 ADRB3 (0.47) CA2ALOX12EGFRTNNI3KPGR
SCHEMBL10169322 0.71 GRM2 (0.41) KDM4EALDH1A1SMN1; SMN2LMNAHDAC4
SCHEMBL10169213 0.67 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2LMNAHDAC4
SCHEMBL28217372 0.66 HDAC4 (0.50) KDM4EALDH1A1SMN1; SMN2LMNAHDAC4
SCHEMBL13689759 0.66 THRB (0.33) SMN1; SMN2CYP3A4NLRP3
SCHEMBL10169313 0.66 HSP90AA1 (0.46) HPGDTSHRGRM2
SCHEMBL19009083 0.66 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2LMNAHDAC4

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 KDM4E 2606/4885ALDH1A1 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.