SCHEMBL4104209

SCHEMBL4104209

COOCc1ccc2c(=O)[nH]c(=O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PARP1 P09874 9/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ PKM P14618 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ KIF11 P52732 1/20 0.34
▸ PARG Q86W56 1/20 0.34
▸ TNK1 Q13470 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TYMP P19971 1/20 0.33

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
SCHEMBL7028425 0.79 KIF11 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL7029415 0.76 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL7027018 0.76 PARP1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL7026650 0.76 PARP1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL7027027 0.73 PARP1 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL10288996 0.72 MPO (0.54) KDM4EALDH1A1SMN1; SMN2CA12CA9
SCHEMBL7028805 0.72 KDM4E (0.60) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL31275105 0.72 KDM4E (0.60) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL7023677 0.72 PARP1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL2731175 0.72 KDM4E (0.56) KDM4EALDH1A1HPGDPARP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2012-05-24 — — US disclosed
WO-2012058671-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2012-05-03 — — WO 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-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 KDM4E 739/4885ALDH1A1 3589/4885HPGD 1434/4885

“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.

Send feedback