SCHEMBL12727421

SCHEMBL12727421

Cc1cc2[nH]c(=O)n(-c3ccc(C(=O)O)cc3)c(=O)c2cc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.48
▸ LMNA P02545 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ GAA P10253 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ RXFP1 Q9HBX9 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ DAO P14920 1/20 0.43

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
SCHEMBL12727376 0.85 P2RY12 (0.56) KDM4ELMNAALDH1A1HPGDTP53
SCHEMBL8737597 0.84 ALDH1A1 (0.51) KDM4ELMNAALDH1A1HPGDTP53
SCHEMBL12727496 0.83 TP53 (0.48) KDM4ELMNAALDH1A1HPGDTP53
SCHEMBL4252448 0.79 SMN1; SMN2 (0.66) KDM4ELMNAALDH1A1HPGDTP53
SCHEMBL8737599 0.77 P2RY12 (0.46) KDM4ELMNAALDH1A1HPGDTP53
SCHEMBL12727460 0.77 MAPK3 (0.42) KDM4ELMNAALDH1A1HPGDTP53
SCHEMBL12727455 0.75 P2RY12 (0.45) KDM4EALDH1A1HPGDTP53KMT2A
SCHEMBL12768215 0.75 KDM4E (0.40) KDM4ELMNAALDH1A1HPGDTP53
SCHEMBL14417204 0.74 ALDH1A1 (0.70) KDM4ELMNAALDH1A1HPGDTP53
SCHEMBL12727377 0.74 P2RY12 (0.54) KDM4ELMNAALDH1A1HPGDTP53

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-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 — — 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-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors TBXA2R, F2R, PTGER1 KDM4E 4643/4885LMNA 3313/4885ALDH1A1 284/4885

“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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