SCHEMBL2467319

SCHEMBL2467319

COc1ncccc1NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)NCc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TTK P33981 1/20 0.40
OPRD1 P41143 2/20 0.40
KCNH2 Q12809 1/20 0.40
OPRL1 P41146 2/20 0.39
KMT2A Q03164 2/20 0.39
GPR6 P46095 3/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NAMPT P43490 1/20 0.38
BDKRB1 P46663 2/20 0.38
OPRM1 P35372 1/20 0.38
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL13593923 0.85 L3MBTL1 (0.43) ALDH1A1L3MBTL1OPRD1KCNH2KMT2A
SCHEMBL2469733 0.83 ALDH1A1 (0.55) ALDH1A1OPRL1KMT2AHTT
SCHEMBL2701062 0.79 KMT2A (0.53) ALDH1A1OPRL1KMT2ACA12CA7
SCHEMBL13593924 0.78 ALDH1A1 (0.67) ALDH1A1OPRL1KMT2AOPRM1
SCHEMBL2703624 0.77 ALDH1A1 (0.51) ALDH1A1OPRL1KMT2ACA12CA7
SCHEMBL21582433 0.77 L3MBTL1 (0.40) ALDH1A1L3MBTL1NAMPTBDKRB1HTT
SCHEMBL2472908 0.76 OPRD1 (0.48) L3MBTL1OPRD1KCNH2KMT2AOPRM1
SCHEMBL13183027 0.74 L3MBTL1 (0.54) ALDH1A1L3MBTL1BDKRB1OPRM1HTT
SCHEMBL2472311 0.73 ALDH1A1 (0.48) ALDH1A1OPRL1KMT2A
SCHEMBL13183011 0.73 ALDH1A1 (0.74) ALDH1A1L3MBTL1OPRD1KCNH2OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885L3MBTL1 1381/4885TTK 289/4885

“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.