SCHEMBL4899708

SCHEMBL4899708

COc1cccc(NC(=O)c2ccc(C3CC3C(F)(F)F)cc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL4909326 0.82 STAT1 (0.56) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL4899732 0.82 RAB9A (0.47) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL4909618 0.78 TRPV1 (0.49) RAB9ANPC1SMN1; SMN2TP53
SCHEMBL4907544 0.77 NPC1 (0.64) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL14197190 0.77 CFTR (0.40) ALDH1A1POLBKDM4EGAA
SCHEMBL4907621 0.77 CFTR (0.40) ALDH1A1POLBKDM4EGAA
SCHEMBL4907622 0.77 CFTR (0.40) ALDH1A1POLBKDM4EGAA
SCHEMBL4912936 0.77 CFTR (0.40) ALDH1A1POLBKDM4EGAA
SCHEMBL4910381 0.77 KDR (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4904838 0.77 KDR (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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 RAB9A 2274/4885NPC1 959/4885SMN1; SMN2 2392/4885
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 RAB9A 2274/4885NPC1 959/4885SMN1; SMN2 2392/4885

“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.