SCHEMBL4909326

SCHEMBL4909326

COc1cccc(NC(=O)c2ccc(C3CC3)cc2C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT1 P42224 1/20 0.56
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
KMT2A Q03164 4/20 0.55
TP53 P04637 3/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
RXFP1 Q9HBX9 1/20 0.53
POLB P06746 2/20 0.53
NLRP3 Q96P20 1/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
TRPV1 Q8NER1 1/20 0.51
KCNK3 O14649 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
SCHEMBL4899708 0.82 RAB9A (0.51) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL4436642 0.79 KCNK3 (0.77) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL4248005 0.77 ALDH1A1 (0.59) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL9848853 0.76 MAOB (0.61) STAT1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11648261 0.75 NPC1 (0.68) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL10055020 0.74 NPC1 (0.94) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL22887206 0.74 SMN1; SMN2 (0.70) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL26975749 0.74 NR1H4 (0.67) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL4909993 0.74 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2TP53TRPV1
SCHEMBL13544732 0.74 NPC1 (0.72) RAB9ANPC1SMN1; SMN2KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US claimed
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-09-14 US claimed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-09-14 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 (2 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-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 STAT1 2406/4885RAB9A 2274/4885NPC1 959/4885
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 STAT1 2406/4885RAB9A 2274/4885NPC1 959/4885

“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.