SCHEMBL12788535

SCHEMBL12788535

Cc1nc2ccc(NC(=O)OC(C)(C)C)cc2c(=O)n1C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SCD O00767 2/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ TOP2B Q02880 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ POLB P06746 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 0.87 ACSS2 (0.46) ACSS2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL12789429 0.82 KMT2A (0.42) ACSS2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL12847376 0.81 KMT2A (0.40) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL12788338 0.80 CA12 (0.43) ACSS2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL12788559 0.80 KMT2A (0.41) ACSS2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL12846922 0.77 MEN1 (0.39) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL12788809 0.76 KMT2A (0.45) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL12788549 0.75 BRD4 (0.43) KMT2AMEN1NPC1GAABRD4
SCHEMBL12788348 0.74 PDE3B (0.41) ALDH1A1KMT2AMEN1RAB9AELANE
SCHEMBL12847203 0.74 MEN1 (0.37) KDM4EKMT2AMEN1NPC1MAPT

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
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

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 2086/4885ALDH1A1 833/4885KDM4E 3477/4885

“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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