SCHEMBL12788628

SCHEMBL12788628

Cc1nc2ccc(NC(=O)OC(C)(C)C)cc2c(=O)n1C1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ BRD4 O60885 2/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ AGTR2 P50052 1/20 0.39

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
SCHEMBL12788315 0.77 ACSS2 (0.46) ACSS2KDM4EALDH1A1KMT2AMEN1
SCHEMBL12789429 0.75 KMT2A (0.42) ACSS2KDM4EALDH1A1KMT2AMEN1
SCHEMBL12788535 0.73 ACSS2 (0.44) ACSS2KDM4EALDH1A1KMT2AMEN1
SCHEMBL12788559 0.73 KMT2A (0.41) ACSS2KDM4EALDH1A1KMT2AMEN1
SCHEMBL12788338 0.71 CA12 (0.43) ACSS2KDM4EALDH1A1KMT2AMEN1
SCHEMBL22664849 0.70 CA12 (0.45) ACSS2CA12CA1CA9BRD4
SCHEMBL1285721 0.69 IDO1 (0.45) ACSS2CA12CA1CA9BRD4
SCHEMBL9222336 0.69 TDO2 (0.63) KMT2AMEN1IDO1NPC1RAB9A
SCHEMBL2997209 0.67 EPHX2 (0.46) ACSS2CA12CA1CA9BRD4
SCHEMBL3006400 0.67 IDO1 (0.45) ACSS2CA12CA1CA9BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297117-B1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME (US) 2012-10-31 — — EP disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — US disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 ACSS2 2086/4885KDM4E 3477/4885ALDH1A1 833/4885

“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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