SCHEMBL482663

SCHEMBL482663

C=C(OCC)c1ccc2nc3cc(C(=C)OCC)ccc3nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 4/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
NQO2 P16083 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
STAT1 P42224 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASP1 P29466 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL21645388 0.80 CYP1A2 (0.47) ALDH1A1LMNANPC1RAB9AMEN1
SCHEMBL4404628 0.79 DGAT1 (0.42) ALDH1A1HPGDLMNANPC1RAB9A
SCHEMBL29344902 0.76 PRSS1 (0.44) ALDH1A1HPGDLMNANPC1RAB9A
SCHEMBL933100 0.75 MAOA (0.40) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL14456161 0.73 CA1 (0.47) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL29490336 0.73 NPC1 (0.42) LMNANPC1RAB9AKMT2AMAPT
SCHEMBL29490184 0.73 NPC1 (0.51) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL2630547 0.72 GAA (0.46) ALDH1A1HPGDLMNANPC1RAB9A
SCHEMBL2247476 0.72 NPC1 (0.59) ALDH1A1HPGDLMNANPC1RAB9A
SCHEMBL3437613 0.72 NPC1 (0.63) ALDH1A1HPGDLMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
WO-2012050918-A2 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICAL, INC. (US) 2012-04-19 WO disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
EP-2410843-A1 FUSED RING INHIBITORS OF HEPATITIS C Presidio Pharmaceuticals, Inc. (US) 2012-02-01 EP disclosed
WO-2010111534-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2010-09-30 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 (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-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC ALDH1A1 1474/4885HPGD 1773/4885LMNA 2669/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 ALDH1A1 1685/4885HPGD 2155/4885LMNA 2515/4885

“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.