SCHEMBL5010540

SCHEMBL5010540

COc1ccccc1CN1C(=O)c2ccc(C(=O)O)cc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
MEN1 O00255 3/20 0.64
HPGD P15428 2/20 0.64
ALDH1A1 P00352 3/20 0.57
GAA P10253 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
POLB P06746 3/20 0.57
RECQL P46063 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ENPP2 Q13822 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL5010936 0.83 KMT2A (0.68) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL12700245 0.83 KMT2A (0.72) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL18669183 0.82 GAA (0.78) KMT2AMEN1ALDH1A1GAACYP1A2
SCHEMBL5010938 0.81 KMT2A (0.72) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL5010059 0.81 KMT2A (0.68) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL18132357 0.79 KMT2A (0.61) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL5010573 0.78 KMT2A (1.00) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL5012320 0.78 ALDH1A1 (0.77) KMT2AMEN1HPGDALDH1A1GAA
Hydrochloric Acid SCHEMBL5010929 0.78 CACNA1G (0.77)
SCHEMBL8647843 0.77 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1GAACYP1A2

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-7319098-B2 1,3-dioxoisoindole derivatives having selective antagonism of T-type calcium channel KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-01-15 US disclosed
US-20070259867-A1 1,3-DIOXOISOINDOLE DERIVATIVES HAVING SELECTIVE ANTAGONISM OF T-TYPE CALCIUM CHANNEL KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2007-11-08 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-20070259867-A1 1,3-DIOXOISOINDOLE DERIVATIVES HAVING SELECTIVE ANTAGONISM OF T-TYPE CALCIUM CHANNEL CACNA1I, CACNA1G, CACNA1H KMT2A 4804/4885MEN1 959/4885HPGD 1902/4885

“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.