SCHEMBL1962289

SCHEMBL1962289

Brc1ccc(CN2C=Cc3[nH]c(CSc4ccccc4)nc3C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CLPP Q16740 1/20 0.35
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A1 P00352 4/20 0.31
ATM Q13315 1/20 0.31
HPGD P15428 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL1961887 0.84 CLPP (0.39) NPC1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1959835 0.84 CLPP (0.38) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL1959748 0.82 CLPP (0.37) CLPPCYP11B1CYP11B2ALDH1A1DAO
SCHEMBL1962303 0.82 RAB9A (0.44) NPC1RAB9ASMN1; SMN2CLPPMAOB
SCHEMBL1960359 0.81 NPC1 (0.35) NPC1CLPPALDH1A1HPGDKDM4E
SCHEMBL1962577 0.79 MAPK13 (0.39) CYP1A2CYP2D6CLPPCYP11B1CYP11B2
SCHEMBL1959641 0.75 NPC1 (0.40) NPC1RAB9ASMN1; SMN2CLPPMEN1
SCHEMBL2345294 0.75 CXCR2 (0.39) CLPPMAPK1ALDH1A1HPGDKDM4E
SCHEMBL1961441 0.74 PTGES (0.40) NPC1RAB9ACYP3A4CYP2C9CYP2C19
SCHEMBL1958963 0.73 OPRK1 (0.37) NPC1RAB9ASMN1; SMN2CLPPKMT2A

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-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-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 NPC1 607/4885RAB9A 1537/4885SMN1; SMN2 3179/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE NPC1 562/4885RAB9A 2520/4885SMN1; SMN2 3260/4885

“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.