SCHEMBL5926500

SCHEMBL5926500

O=C(O)CCNC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 9/20 0.57
▸ EGLN1 Q9GZT9 1/20 0.48
▸ KMO O15229 2/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ ITGB3 P05106 2/20 0.47
▸ ITGA2B P08514 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL10985213 0.77 LMNA (0.58) ALDH1A1HDAC6
SCHEMBL25199807 0.77 DDR1 (0.51) EGLN1MMP13
SCHEMBL5926497 0.76 KDM4C (0.56) KMOALDH1A1
SCHEMBL5926838 0.75 CTSA (0.59) MMP13
SCHEMBL5926832 0.73 KIFC1 (0.66) ITGB3ITGA2B
SCHEMBL5214415 0.73 NAMPT (0.54) MMP13ALDH1A1
SCHEMBL12999520 0.72 ITGB3 (0.61) EGLN1ITGB3ITGA2BALDH1A1
SCHEMBL15104584 0.71 CTSA (0.51) ALDH1A1
SCHEMBL10992192 0.71 EGLN1 (0.56) EGLN1ALDH1A1
SCHEMBL16093766 0.70 ALDH1A1 (0.52) ALDH1A1

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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — 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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 GCGR 663/4885EGLN1 872/4885KMO 63/4885

“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.

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