SCHEMBL7051965

SCHEMBL7051965

Cn1cncc1C(O)C#Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.51
FNTA P49354 8/20 0.42
FNTB P49356 8/20 0.42
PGGT1B P53609 7/20 0.42
GRM5 P41594 3/20 0.42
HSD17B2 P37059 1/20 0.38
HPGDS O60760 1/20 0.37
APP P05067 1/20 0.35
LDLR P01130 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35

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
SCHEMBL7571137 0.74 KDM4E (0.49) IDO1HPGDSLDLRPCSK9
SCHEMBL6208653 0.74 TDP1 (0.52) IDO1FNTAFNTBPGGT1BGRM5
SCHEMBL22776004 0.72
SCHEMBL7166244 0.71 IDO1 (0.44) IDO1HPGDS
SCHEMBL2519799 0.70 TSHR (0.52) IDO1GRM5APP
SCHEMBL17845069 0.70 APP (0.48) IDO1GRM5HSD17B2APP
SCHEMBL2801832 0.70 TSHR (0.52) IDO1GRM5APP
SCHEMBL6103627 0.70
SCHEMBL8189671 0.69 FNTA (0.60) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7570009 0.69 HPGDS (0.39) IDO1FNTAFNTBPGGT1BHPGDS

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-20030216441-A1 Farnesyltransferase inhibitors WEINSTOCK, STEVEN F. 2003-11-20 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-20030216441-A1 Farnesyltransferase inhibitors FNTA, FNTB, LCAT IDO1 4436/4885FNTA 1/4885FNTB 2/4885

“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.