SCHEMBL31068635

SCHEMBL31068635

COC(=O)c1cc2ccc(O)nc2n1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 7/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
LCK P06239 2/20 0.38
ROCK1 Q13464 1/20 0.38
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35
ELANE P08246 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
SCHEMBL29367884 0.83 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25207020 0.83 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL18969539 0.81 KDM4E (0.42) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1423541 0.77 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1SMN1; SMN2MTNR1A
SCHEMBL30988432 0.76 ROCK1 (0.63) L3MBTL1ROCK1
SCHEMBL18938869 0.76 ROCK2 (0.45) L3MBTL1SMN1; SMN2ROCK1MTNR1AMTNR1B
SCHEMBL27425388 0.76 ROCK1 (0.63) L3MBTL1ROCK1
SCHEMBL3056564 0.73 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL30436497 0.73 L3MBTL1 (0.40) L3MBTL1KDM4EMAPTLMNA
SCHEMBL26853784 0.73 L3MBTL1 (0.40) L3MBTL1KDM4EMAPTLMNA

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-20240254114-A1 PREPARATION OF FUSED AZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE 0-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-08-01 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-20240254114-A1 PREPARATION OF FUSED AZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE 0-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, ACAT2 L3MBTL1 2035/4885KDM4E 2128/4885ALDH1A1 984/4885

“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.