SCHEMBL14082969

SCHEMBL14082969

CC(NC(=O)c1ccc(-c2cccs2)cc1)c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.63
▸ KMT2A Q03164 4/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ ROCK2 O75116 2/20 0.51
▸ ROCK1 Q13464 2/20 0.51
▸ RPS6KA5 O75582 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ CSF1R P07333 1/20 0.51
▸ PRKACA P17612 1/20 0.51
▸ FLT1 P17948 1/20 0.51
▸ RPS6KB1 P23443 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ AKT1 P31749 1/20 0.51
▸ FLT4 P35916 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ GSK3A P49840 1/20 0.51

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
SCHEMBL14082978 0.88 ROCK2 (0.65) NPC1KMT2AALDH1A1LMNAROCK2
SCHEMBL12191024 0.84 HPGDS (0.49) NPC1KMT2AALDH1A1LMNAROCK2
SCHEMBL3109180 0.79 ROCK2 (0.75) NPC1KMT2AALDH1A1LMNAROCK2
SCHEMBL10441794 0.79 NPC1 (0.60) NPC1KMT2AALDH1A1LMNAMEN1
SCHEMBL5644953 0.78 NPC1 (0.88) NPC1KMT2AALDH1A1LMNAROCK2
SCHEMBL14082869 0.78 PTPN1 (0.67) NPC1KMT2AMAPK1MEN1RXFP1
SCHEMBL13494840 0.77 NPC1 (0.74) NPC1KMT2AALDH1A1LMNAROCK2
SCHEMBL14107999 0.76 RAB9A (0.57) NPC1KMT2AALDH1A1LMNAMEN1
SCHEMBL5042488 0.75 HDAC1 (0.51) NPC1KMT2AALDH1A1ROCK1MAP4K4
SCHEMBL5042497 0.75 HDAC1 (0.51) NPC1KMT2AALDH1A1ROCK1MAP4K4

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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 NPC1 1061/4885KMT2A 4272/4885ALDH1A1 1577/4885

“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.

Send feedback