SCHEMBL1958384

SCHEMBL1958384

CCC(CC)Cn1ccc2nc(-c3ccccc3)nc-2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.38
NR1H2 P55055 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
ATM Q13315 1/20 0.37
ADORA1 P30542 5/20 0.36
ADORA2A P29274 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA3 P0DMS8 3/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL1960975 0.83 L3MBTL1 (0.41) NR1H3NR1H2NPC1RAB9AKMT2A
SCHEMBL1961157 0.77 NPC1 (0.38) NR1H3NR1H2NPC1RAB9AKMT2A
SCHEMBL1411948 0.75 HPGDS (0.54) NR1H3NR1H2RAB9AKMT2AMAPT
SCHEMBL1960624 0.73 PDE10A (0.40) NR1H3NR1H2NPC1RAB9AKMT2A
SCHEMBL6432294 0.73 ADORA1 (0.47) NR1H3NR1H2NPC1RAB9AKMT2A
SCHEMBL1961068 0.73 CYP11B1 (0.50) NR1H3NR1H2NPC1RAB9ALMNA
SCHEMBL1962567 0.72 ADORA3 (0.36) NR1H3NR1H2NPC1RAB9AKMT2A
SCHEMBL1959643 0.72 SMN1; SMN2 (0.52) NR1H3NPC1RAB9AKMT2AMAPT
SCHEMBL1961064 0.72 CYP11B1 (0.47) NR1H3NR1H2NPC1RAB9AKMT2A
SCHEMBL12767272 0.71 ACHE (0.50) NR1H3NR1H2NPC1RAB9AKMT2A

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-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 NR1H3 2655/4885NR1H2 2716/4885NPC1 607/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE NR1H3 2044/4885NR1H2 2225/4885NPC1 562/4885

“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.