SCHEMBL894326

SCHEMBL894326

CN(c1cc(N)ccc1C(=O)N1CCOCC1)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.42
ERN1 O75460 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL10169324 0.83 HSP90AA1 (0.45) TSHRCA12CA1CA2CA3
SCHEMBL894754 0.81 SMN1; SMN2 (0.57) KDM4ELMNAALDH1A1KMT2A
SCHEMBL17774835 0.78 HTT (0.47) TSHRKDM4EHTTALDH1A1
SCHEMBL14872917 0.77 NPSR1 (0.47) KDM4ELMNACA12CA1CA2
SCHEMBL894616 0.77 BTK (0.44) TSHRCA12CA1CA2CA3
SCHEMBL3400224 0.76 HPGD (0.55) TSHRKDM4EHTTALDH1A1
SCHEMBL9759889 0.76 KDM4E (0.51) TSHRKDM4ECA12CA1CA2
SCHEMBL4766465 0.73 MAPT (0.61) TSHRKDM4ECA12CA1CA2
SCHEMBL17979877 0.73 MEN1 (0.55) TSHRKDM4EHTTALDH1A1MEN1
SCHEMBL3093965 0.73 MAPT (0.57) TSHRKDM4EHTTMEN1KMT2A

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 7 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
CN-102458402-B Nicotinamide compounds useful as kinase modulators BRISTOL MYERS SQUIBB CO 2013-10-02 CN 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
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 TSHR 3658/4885KDM4E 2606/4885LMNA 3170/4885

“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.