SCHEMBL27203955

SCHEMBL27203955

CN(CC(=O)Nc1ccnc(CN)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.41
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL30819391 0.82 PRSS1 (0.49) L3MBTL1
SCHEMBL11614989 0.77 PRKCI (0.49) PRKCITDP1ALDH1A1GAA
SCHEMBL11615543 0.68 PRKCI (0.38) PRKCIALDH1A1
SCHEMBL19086455 0.68 GAA (0.48) CA1CA2ALDH1A1GAAL3MBTL1
SCHEMBL15880501 0.67 PRKCI (0.62) PRKCI
SCHEMBL25099306 0.65 HASPIN (0.43) CA1CA2TDP1ALDH1A1
SCHEMBL27627388 0.65 PRKCI (0.63) PRKCIALDH1A1
SCHEMBL25139429 0.65 HSD17B10 (0.49) ALDH1A1GAAL3MBTL1
SCHEMBL28292631 0.64 PRKCI (0.48) PRKCIGAA
SCHEMBL12252467 0.64 GABRP (0.58) ALDH1A1

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-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 — — 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-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE DLD, GCDH, DLAT PRKCI 3276/4885CA1 3932/4885CA2 3725/4885

“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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