SCHEMBL4054573

SCHEMBL4054573

Cc1ccc2c(c1)nnn2C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.61
GAA P10253 9/20 0.49
MGAM O43451 7/20 0.49
AMY1A P0DUB6 7/20 0.49
SI P14410 7/20 0.49
MGAM2 Q2M2H8 7/20 0.49
HCAR3 P49019 4/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
F2 P00734 2/20 0.42
HPGD P15428 2/20 0.42
SLC9A1 P19634 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL10428733 0.88 KCNMA1 (0.62) KCNMA1GAAMGAMAMY1ASI
SCHEMBL11440840 0.86 KCNMA1 (0.61) KCNMA1GAAMGAMAMY1ASI
SCHEMBL24019555 0.85 KCNMA1 (0.59) KCNMA1GAAMGAMAMY1ASI
SCHEMBL10428583 0.85 KCNMA1 (0.59) KCNMA1GAAMGAMAMY1ASI
SCHEMBL1161338 0.82 KCNMA1 (0.53) KCNMA1GAAMGAMAMY1ASI
SCHEMBL31666989 0.82 KCNMA1 (0.53) KCNMA1GAAMGAMAMY1ASI
SCHEMBL19911475 0.81 KCNMA1 (0.56) KCNMA1GAAMGAMAMY1ASI
SCHEMBL23638342 0.81 DGAT1 (0.58) KCNMA1GAAMGAMAMY1ASI
SCHEMBL11294103 0.79 KCNMA1 (0.57) KCNMA1GAAMGAMAMY1ASI
SCHEMBL11358890 0.79 KCNMA1 (0.57) KCNMA1GAAMGAMAMY1ASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4942248-A CARBAMYLATION OF AMINO ACIDS BY REACTION WITH TERT-ALKYL ESTER A OF 1H-BENZOTRIAZOLE-1-CARBOXYLIC ACID TO FOR BLOCKED AMINO GROUP PPG INDUSTRIES, INC. (US) 1990-07-17 US claimed
EP-1392312-B1 TRIAZOLO 4,5-d PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2009-03-04 EP disclosed
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS DEVELOPMENT LIMITED (GB) 2004-05-20 US disclosed
US-4942248-A CARBAMYLATION OF AMINO ACIDS BY REACTION WITH TERT-ALKYL ESTER A OF 1H-BENZOTRIAZOLE-1-CARBOXYLIC ACID TO FOR BLOCKED AMINO GROUP PPG INDUSTRIES, INC. (US) 1990-07-17 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-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 KCNMA1 1533/4885GAA 841/4885MGAM 4785/4885

“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.