SCHEMBL3585818

SCHEMBL3585818

Nc1ccc2oc(CO)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.64
RAB9A P51151 12/20 0.60
NPC1 O15118 11/20 0.60
MAPT P10636 10/20 0.60
SMN1; SMN2 Q16637 10/20 0.60
KDM4E B2RXH2 7/20 0.60
HSD17B10 Q99714 6/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
POLB P06746 1/20 0.59
GFER P55789 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PIK3CB P42338 1/20 0.49
TP53 P04637 8/20 0.47
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NFKB1 P19838 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
SCHEMBL28848905 0.95 GRK6 (0.59) GRK6RAB9ANPC1MAPTSMN1; SMN2
Boric Acid SCHEMBL28661630 0.94 GRK6 (0.57) GRK6RAB9ANPC1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL28662000 0.94 GRK6 (0.57) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL29236600 0.84 GRK6 (0.66) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL993416 0.82 GRK6 (0.64) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL11199551 0.80 RAB9A (0.58) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2245602 0.79 GRK6 (0.69) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL24338807 0.79 PIK3CD (0.43) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL13986779 0.79 KDM4E (0.54) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL21104415 0.79 MEN1 (0.62) RAB9ANPC1MAPTSMN1; SMN2KDM4E

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 4 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 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
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO 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 (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 GRK6 1195/4885RAB9A 2452/4885NPC1 879/4885

“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.