SCHEMBL1961171

SCHEMBL1961171

Fc1ccc(Cn2ccc3nc(-c4c(F)ccc(F)c4F)nc-3c2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM5B Q9UGL1 2/20 0.36
KCNH2 Q12809 3/20 0.33
CYP19A1 P11511 2/20 0.33
PPARG P37231 4/20 0.32
IDO1 P14902 2/20 0.31
AGXT P21549 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 1/20 0.31
KDM4A O75164 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KLKB1 P03952 1/20 0.30

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
SCHEMBL1960353 0.89 KDM4E (0.38) KDM4ESMN1; SMN2KDM5BKCNH2CYP19A1
SCHEMBL2343622 0.85 KCNH2 (0.40) KDM4ESMN1; SMN2KDM5BKCNH2CYP19A1
SCHEMBL16628721 0.83 KCNH2 (0.42) KDM4ESMN1; SMN2KDM5BKCNH2CYP19A1
SCHEMBL1961789 0.80 KDM5B (0.38) KDM4ESMN1; SMN2KDM5BKCNH2CYP19A1
SCHEMBL13463409 0.77 KCNH2 (0.40) KDM4EKDM5BKCNH2KLKB1
SCHEMBL2345517 0.76 CYP11B1 (0.38) KCNH2CYP19A1
SCHEMBL13463859 0.74 KCNH2 (0.47) KDM5BKCNH2HDAC1KDM4AKDM5A
SCHEMBL1959935 0.73 KCNH2 (0.39) KDM5BKCNH2CYP19A1
SCHEMBL1963287 0.71 RAB9A (0.42) KDM4EKDM5BKCNH2CYP19A1HDAC1
SCHEMBL13463582 0.70 KCNH2 (0.41) KDM5BKCNH2KDM4AKDM5AKDM4C

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 KDM4E 519/4885SMN1; SMN2 3179/4885KDM5B 590/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE KDM4E 782/4885SMN1; SMN2 3260/4885KDM5B 963/4885

“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.