SCHEMBL23743199

SCHEMBL23743199

Fc1ccc(-c2csc(-c3ccccn3)n2)cc1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.74
KDM4E B2RXH2 2/20 0.74
ALDH1A1 P00352 2/20 0.74
MAPK1 P28482 1/20 0.74
MPL P40238 5/20 0.60
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
GFER P55789 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
NPC1 O15118 2/20 0.46
CYP19A1 P11511 3/20 0.46
PDE10A Q9Y233 1/20 0.46
KMO O15229 1/20 0.45
MEN1 O00255 1/20 0.44
CASP3 P42574 1/20 0.44
KMT2A Q03164 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL4028551 0.84 KMO (0.52) RAB9AKDM4EALDH1A1MAPK1MPL
SCHEMBL30704714 0.84 KMO (0.52) RAB9AKDM4EALDH1A1MAPK1MPL
SCHEMBL4025957 0.82 KMO (0.51) RAB9AKDM4EALDH1A1MAPK1MPL
SCHEMBL23743187 0.78 MPL (0.64) RAB9AKDM4EALDH1A1MAPK1MPL
SCHEMBL26135947 0.76 MPL (0.61) RAB9AKDM4EALDH1A1MAPK1MPL
SCHEMBL128039 0.76 MPL (1.00) RAB9AKDM4EALDH1A1MPLMAPT
SCHEMBL4437345 0.76 CYP19A1 (0.72) RAB9AKDM4EALDH1A1MAPK1MAPT
SCHEMBL17014755 0.75 RAB9A (0.66) RAB9AKDM4EALDH1A1MAPK1MAPT
SCHEMBL25092680 0.73 MPL (0.61) RAB9AKDM4EALDH1A1MAPK1MPL
SCHEMBL1741719 0.73 CYP19A1 (0.79) RAB9AKDM4EALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2021-08-12 US 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 (1 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-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP1B1, CYP27A1 RAB9A 1418/4885KDM4E 3500/4885ALDH1A1 87/4885

“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.