SCHEMBL16017456

SCHEMBL16017456

C/C(=N\[C@@H](Cc1nn[nH]n1)C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.42
KEAP1 Q14145 1/20 0.41
HTT P42858 1/20 0.39
FFAR2 O15552 3/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MME P08473 1/20 0.35
MMEL1 Q495T6 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL1449520 0.68 HTT (0.65) PIN1HTTALDH1A1L3MBTL1HPGD
SCHEMBL23674190 0.62 TACR1 (0.42) PIN1FFAR2CYP1A2ALDH1A1L3MBTL1
SCHEMBL23766637 0.62 ALPI (0.53) CYP1A2HSD17B10L3MBTL1
SCHEMBL23839864 0.61 NAALAD2 (0.44) PIN1HTTFFAR2CYP2D6NAALAD2
SCHEMBL2118063 0.60 PPARG (0.50) CYP1A2HSD17B10
SCHEMBL1193057 0.60 PPARG (0.50) CYP1A2HSD17B10
SCHEMBL3740070 0.60 ALPI (0.44) CYP1A2L3MBTL1
SCHEMBL3740060 0.60 ALPI (0.44) CYP1A2L3MBTL1
SCHEMBL23295309 0.60 KMT2A (0.41) HTTHSD17B10ALDH1A1L3MBTL1HPGD
SCHEMBL20817266 0.60 ERCC5 (0.50) ALDH1A1L3MBTL1MMEL1

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-20140256698-A1 CATHEPSIN INHIBITORS VIROBAY, INC. 2014-09-11 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-20140256698-A1 CATHEPSIN INHIBITORS CTSF, CTSZ, CTSV PIN1 870/4885KEAP1 2555/4885HTT 1158/4885

“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.