SCHEMBL23743157

SCHEMBL23743157

N#Cc1ccc(-c2csc(-c3cccnc3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.71
KDM4E B2RXH2 4/20 0.71
ALDH1A1 P00352 1/20 0.71
CYP19A1 P11511 8/20 0.70
AXL P30530 1/20 0.70
PBRM1 Q86U86 1/20 0.70
MKNK1 Q9BUB5 1/20 0.70
MKNK2 Q9HBH9 1/20 0.70
NPC1 O15118 3/20 0.62
CYP11B2 P19099 1/20 0.60
MAPK1 P28482 2/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HPGDS O60760 1/20 0.58
CDC25A P30304 1/20 0.58
CDC25B P30305 1/20 0.58
CDC25C P30307 1/20 0.58
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL3605142 0.84 CDC25A (0.69) RAB9AKDM4EALDH1A1CYP19A1NPC1
SCHEMBL11460926 0.84 RAB9A (0.94) RAB9AKDM4EALDH1A1CYP19A1AXL
SCHEMBL7495850 0.84 RAB9A (1.00) RAB9AKDM4EALDH1A1CYP19A1AXL
SCHEMBL6649362 0.84 CYP19A1 (0.87) RAB9AKDM4EALDH1A1CYP19A1AXL
SCHEMBL6196239 0.83 CYP19A1 (1.00) RAB9AKDM4EALDH1A1CYP19A1AXL
Hydrochloric Acid SCHEMBL11452940 0.82 RAB9A (0.97) RAB9AKDM4EALDH1A1CYP19A1AXL
SCHEMBL27676399 0.81 RAB9A (0.77) RAB9AKDM4EALDH1A1CYP19A1AXL
SCHEMBL8978641 0.81 CYP19A1 (0.89) RAB9AKDM4EALDH1A1CYP19A1AXL
SCHEMBL11473901 0.81 RAB9A (0.77) RAB9AKDM4EALDH1A1CYP19A1AXL
SCHEMBL11359373 0.81 CYP19A1 (0.89) RAB9AKDM4EALDH1A1CYP19A1AXL

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.