SCHEMBL1961673

SCHEMBL1961673

COc1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
KCNH2 Q12809 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
ADORA3 P0DMS8 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CNR2 P34972 1/20 0.42
DPP4 P27487 1/20 0.42
HPGDS O60760 1/20 0.42
S1PR1 P21453 1/20 0.42

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
SCHEMBL1958699 0.86 NR1H2 (0.48) NPC1RAB9ASMN1; SMN2TDP1MEN1
SCHEMBL1961068 0.86 CYP11B1 (0.50) CYP11B1CYP11B2NPC1RAB9AL3MBTL1
SCHEMBL1411948 0.86 HPGDS (0.54) CYP11B1CYP11B2RAB9AL3MBTL1SMN1; SMN2
SCHEMBL1959643 0.85 SMN1; SMN2 (0.52) CYP11B1CYP11B2NPC1RAB9AL3MBTL1
SCHEMBL1960948 0.84 SCN5A (0.41) CYP11B1CYP11B2NPC1RAB9AALDH1A1
SCHEMBL1958116 0.83 SMN1; SMN2 (0.50) CYP11B1CYP11B2NPC1RAB9AL3MBTL1
SCHEMBL1959676 0.82 CYP11B1 (0.47) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL1962576 0.82 NR1H3 (0.47) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1960818 0.82 SMN1; SMN2 (0.49) CYP11B1CYP11B2NPC1RAB9AL3MBTL1
SCHEMBL1961126 0.82 HPGDS (0.45) CYP11B1CYP11B2NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US claimed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP claimed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US claimed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US claimed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP claimed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO claimed
EP-2332938-B1 Viral inhibitors LEUVEN K U RES & DEV (BE) 2014-10-01 EP disclosed
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 CYP11B1 1458/4885CYP11B2 1903/4885KCNH2 2470/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CYP11B1 783/4885CYP11B2 1113/4885KCNH2 2142/4885

“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.