SCHEMBL12788335

SCHEMBL12788335

Cc1nc2ccc(N(C)C(=O)OC(C)(C)C)cc2c(=O)n1C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.45
▸ PAX8 Q06710 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ CTRB1 P17538 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32

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
SCHEMBL12788710 0.84 LMNA (0.39) ALDH1A1KDM4EHPGDL3MBTL1LMNA
SCHEMBL12789712 0.83 BRD4 (0.41) BRD4PAX8ALDH1A1KDM4EHPGD
SCHEMBL12788332 0.82 PDE3B (0.46) ALDH1A1KDM4EMAPK1RAB9AELANE
SCHEMBL12788990 0.81 BRD4 (0.40) BRD4PAX8L3MBTL1MAPK1SMN1; SMN2
SCHEMBL12788962 0.81 MEN1 (0.45) MEN1KMT2A
SCHEMBL12847202 0.80 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDL3MBTL1LMNA
SCHEMBL12788546 0.80 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDLMNAMAPK1
SCHEMBL12788315 0.80 ACSS2 (0.46) BRD4ALDH1A1KDM4EHPGDLMNA
SCHEMBL13564459 0.79 IDO1 (0.37) BRD4ALDH1A1KDM4EHPGDMAPK1
SCHEMBL12847300 0.79 GFER (0.38) ALDH1A1KDM4EHPGDLMNAMAPK1

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 BRD4 563/4885PAX8 4405/4885ALDH1A1 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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