SCHEMBL1961113

SCHEMBL1961113

Fc1cccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HPGDS O60760 1/20 0.48
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 2/20 0.48
KDM4C Q9H3R0 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
DPP4 P27487 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
KDM4A O75164 1/20 0.40
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1411948 0.86 HPGDS (0.54) RAB9AHPGDSCYP11B1CYP11B2KDM4C
SCHEMBL1959676 0.85 CYP11B1 (0.47) NPC1RAB9AHPGDSCYP11B1CYP11B2
SCHEMBL1962139 0.84 CYP11B1 (0.48) HPGDSCYP11B1CYP11B2KDM4CSMN1; SMN2
SCHEMBL1958815 0.84 ALDH1A1 (0.49) NPC1HPGDSCYP11B1CYP11B2KDM4C
SCHEMBL1960311 0.84 MAPT (0.48) NPC1RAB9AHPGDSCYP11B1CYP11B2
SCHEMBL1958148 0.84 KDM4C (0.50) HPGDSKDM4CMAPTCYP3A4CYP2D6
SCHEMBL1959782 0.81 CYP19A1 (0.50) HPGDSCYP11B1CYP11B2CYP2E1CYP3A4
SCHEMBL1959831 0.81 CYP11B1 (0.42) NPC1RAB9AHPGDSCYP11B1CYP11B2
SCHEMBL1962574 0.81 ALDH1A1 (0.56) HPGDSCYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL1958699 0.81 NR1H2 (0.48) NPC1RAB9AHPGDSDPP4SMN1; 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 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 NPC1 607/4885RAB9A 1537/4885HPGDS 2628/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE NPC1 562/4885RAB9A 2520/4885HPGDS 2482/4885

“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.