SCHEMBL755146

SCHEMBL755146

CC(O)c1cn(Cc2ccc(F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.47
KDM4A O75164 1/20 0.47
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
CYP19A1 P11511 1/20 0.45
CPB2 Q96IY4 1/20 0.41
CPB1 P15086 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC2A1 P11166 1/20 0.38
SOS1 Q07889 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL24180187 0.89 CYP11B1 (0.46) KDM5BKDM4AKDM5AKDM4CCYP11B1
SCHEMBL7405160 0.84 CPB2 (0.51) KDM5BKDM4AKDM5AKDM4CCYP11B1
SCHEMBL22887798 0.84 ALDH1A1 (0.39) KDM5BKDM4AKDM5AKDM4CCYP11B1
SCHEMBL25583830 0.77 CYP11B1 (0.50) KDM5BKDM4AKDM5AKDM4CCYP11B1
SCHEMBL20344417 0.76 CYP11B1 (0.46) CYP11B1CYP11B2CYP19A1CPB2CPB1
SCHEMBL17544526 0.74 KDM5B (0.49) KDM5BKDM4AKDM5AKDM4CCYP11B1
SCHEMBL22185256 0.74 CYP11B1 (0.45) KDM5BKDM4CCYP11B1CYP11B2CYP19A1
SCHEMBL754518 0.74 KDM5A (0.52) KDM5BKDM4AKDM5AKDM4CCYP11B1
SCHEMBL18925014 0.74 SIGMAR1 (0.45)
SCHEMBL21199434 0.73 CYP11B1 (0.50) KDM5BKDM4AKDM5AKDM4CCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM5B 638/4885KDM4A 225/4885KDM5A 350/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM5B 638/4885KDM4A 225/4885KDM5A 350/4885

“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.