SCHEMBL3596544

SCHEMBL3596544

COc1cc(/C=C\C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.62
RAB9A P51151 14/20 0.62
SMN1; SMN2 Q16637 8/20 0.62
MAPT P10636 7/20 0.62
TP53 P04637 7/20 0.62
ALDH1A1 P00352 5/20 0.62
TSHR P16473 4/20 0.62
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
POLB P06746 2/20 0.59
NFKB1 P19838 3/20 0.54
NFKB2 Q00653 3/20 0.54
RELA Q04206 3/20 0.54
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
TRPV1 Q8NER1 1/20 0.51
CREBBP Q92793 1/20 0.51
PKM P14618 3/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL3597396 1.00 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL3596550 1.00 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL3591672 0.88 TRPV1 (0.50) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL3595361 0.88 TRPV1 (0.50) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL3591670 0.88 TRPV1 (0.50) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL3587414 0.88 RAB9A (0.66) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL3587418 0.88 RAB9A (0.66) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL3594512 0.85 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL3594509 0.85 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL5909445 0.81 RAB9A (0.62) NPC1RAB9ASMN1; SMN2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US claimed
US-11020730-B2 Halogen-containing metathesis catalysts and methods thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-01 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 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 (3 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 NPC1 879/4885RAB9A 2452/4885SMN1; SMN2 2207/4885
US-11020730-B2 Halogen-containing metathesis catalysts and methods thereof ZRANB2, SLC39A3, ZCCHC8 NPC1 763/4885RAB9A 872/4885SMN1; SMN2 3770/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885SMN1; 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.