SCHEMBL10095258

SCHEMBL10095258

CCn1cc(-c2noc(C3CC3)n2)c2ccc(OC)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL980895 0.82 MAPT (0.48) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL984051 0.71 MKNK2 (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL10095290 0.71 RAB9A (0.46) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL980446 0.70 NPC1 (0.50) ALDH1A1HPGDHSD17B10SMN1; SMN2RAB9A
SCHEMBL13153265 0.68 PTPN1 (0.58) KDM4EALDH1A1HSD17B10NPC1TP53
SCHEMBL982376 0.68 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL12489563 0.67 PTPN1 (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL982663 0.67 NOTUM (0.52) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL10193337 0.67 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL7850213 0.67 HTR6 (0.49) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 GABRA1 4216/4885GABRG2 4544/4885GABRB3 3376/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GABRA1 3943/4885GABRG2 4213/4885GABRB3 2521/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GABRA1 3578/4885GABRG2 3165/4885GABRB3 2155/4885

“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.