SCHEMBL5012350

SCHEMBL5012350

Cc1ccc(CN2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.78
▸ KMT2A Q03164 2/20 0.78
▸ MEN1 O00255 1/20 0.78
▸ ENPP2 Q13822 1/20 0.76
▸ CA1 P00915 3/20 0.70
▸ CA2 P00918 3/20 0.70
▸ CA9 Q16790 2/20 0.70
▸ CA4 P22748 1/20 0.70
▸ POLB P06746 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.58
▸ CACNA1G O43497 2/20 0.58
▸ CA12 O43570 1/20 0.56

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
SCHEMBL20010530 0.94 KMT2A (0.88) HPGDKMT2AMEN1ENPP2CA1
SCHEMBL4239479 0.92 ENPP2 (0.88) HPGDKMT2AMEN1ENPP2CA1
SCHEMBL31667420 0.88 KMT2A (0.78) HPGDKMT2AMEN1ENPP2CA1
SCHEMBL5009943 0.88 HPGD (0.78) HPGDKMT2AMEN1ENPP2CA1
SCHEMBL5010573 0.88 KMT2A (1.00) HPGDKMT2AMEN1ENPP2CA1
SCHEMBL5010921 0.87 HPGD (0.76) HPGDKMT2AMEN1ENPP2CA1
SCHEMBL3439592 0.87 ENPP2 (1.00) HPGDKMT2AMEN1ENPP2CA1
SCHEMBL5012351 0.86 KMT2A (0.75) HPGDKMT2AMEN1ENPP2CA1
SCHEMBL1418395 0.86 HPGD (0.71) HPGDKMT2AMEN1ENPP2CA1
SCHEMBL6765162 0.85 CA1 (0.77) HPGDKMT2AMEN1ENPP2CA1

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 HPGD 1902/4885KMT2A 4804/4885MEN1 959/4885

“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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