SCHEMBL4899732

SCHEMBL4899732

COc1ccc(NC(=O)c2ccc(C3CC3C(F)(F)F)cc2C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
PABPC1 P11940 2/20 0.45
MAPT P10636 3/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
BRAF P15056 1/20 0.44
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NAMPT P43490 1/20 0.41
KEAP1 Q14145 1/20 0.41

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) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4898810 0.79 KDR (0.54) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL4910596 0.79 KDR (0.54) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL4900096 0.79 KDR (0.54) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL4904838 0.79 KDR (0.54) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL4910381 0.79 KDR (0.54) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL4909618 0.79 TRPV1 (0.49) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL4907544 0.76 NPC1 (0.64) RAB9ANPC1LMNAALDH1A1HTT
SCHEMBL4907621 0.75 CFTR (0.40) KDM4EALDH1A1MAPT
SCHEMBL14197190 0.75 CFTR (0.40) KDM4EALDH1A1MAPT

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 959/4885KDM4E 4112/4885
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 RAB9A 2274/4885NPC1 959/4885KDM4E 4112/4885

“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.