SCHEMBL3587418

SCHEMBL3587418

Cc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 16/20 0.66
NPC1 O15118 15/20 0.66
SMN1; SMN2 Q16637 6/20 0.57
TP53 P04637 5/20 0.57
HPGD P15428 4/20 0.57
ALDH1A1 P00352 2/20 0.57
PKM P14618 2/20 0.57
MAPK1 P28482 2/20 0.57
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TRPV1 Q8NER1 4/20 0.52
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 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
SCHEMBL3587414 1.00 RAB9A (0.66) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL3594509 0.89 NPC1 (0.61) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL3594512 0.89 NPC1 (0.61) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL3587856 0.88 TRPV1 (0.52) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL3587851 0.88 TRPV1 (0.52) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL3597396 0.88 NPC1 (0.62) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL3596550 0.88 NPC1 (0.62) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL3596544 0.88 NPC1 (0.62) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL5909453 0.86 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL5909445 0.86 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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 1 patent. 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

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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 RAB9A 2452/4885NPC1 879/4885SMN1; SMN2 2207/4885

“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.