SCHEMBL1963287

SCHEMBL1963287

Fc1ccc(Cn2ccc3nc(-c4c(F)cccc4F)nc-3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
CYP19A1 P11511 3/20 0.41
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
KCNH2 Q12809 3/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1961657 0.90 KCNH2 (0.41) RAB9ANPC1CYP11B1CYP11B2CYP19A1
SCHEMBL1960665 0.86 SMN1; SMN2 (0.44) RAB9ANPC1KCNH2KDM4EPOLB
SCHEMBL1958831 0.84 KCNH2 (0.40) KDM5BKCNH2KDM4EPOLBALDH1A1
SCHEMBL1960353 0.83 KDM4E (0.38) CYP19A1KDM4AKDM5AKDM4CKDM5B
SCHEMBL13463711 0.82 KCNH2 (0.41) RAB9ANPC1CYP11B1CYP11B2CYP19A1
SCHEMBL1959935 0.82 KCNH2 (0.39) CYP19A1KDM5BKCNH2
SCHEMBL1959676 0.82 CYP11B1 (0.47) RAB9ANPC1CYP11B1CYP11B2CYP19A1
SCHEMBL27573630 0.80 NPC1 (0.46) RAB9ANPC1CYP11B1CYP11B2CYP19A1
SCHEMBL2345517 0.77 CYP11B1 (0.38) RAB9ANPC1CYP11B1CYP11B2CYP19A1
SCHEMBL2343881 0.77 NPC1 (0.47) RAB9ANPC1CYP11B1CYP11B2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 1537/4885NPC1 607/4885CYP11B1 1458/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE RAB9A 2520/4885NPC1 562/4885CYP11B1 783/4885

“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.