SCHEMBL16232298

SCHEMBL16232298

Cc1nc2ccc(C(C)(C)C)cc2c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ TNKS2 Q9H2K2 5/20 0.56
▸ PARP1 P09874 4/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ IP6K1 Q92551 1/20 0.55
▸ POLB P06746 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ TNKS O95271 4/20 0.53
▸ ACVR1 Q04771 2/20 0.48
▸ PARG Q86W56 1/20 0.47

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
SCHEMBL31283720 0.86 HSD17B10 (0.57) KDM4EHSD17B10LMNATNKS2PARP1
SCHEMBL19104138 0.83 TNKS (0.52) KDM4EHSD17B10LMNATNKS2PARP1
SCHEMBL21467158 0.80 PKM (0.59) KDM4EHSD17B10LMNATNKS2PARP1
SCHEMBL22101663 0.80 TNKS2 (0.59) LMNATNKS2PARP1NPC1ALDH1A1
SCHEMBL8198982 0.80 TNKS (0.50) HSD17B10TNKS2PARP1ALDH1A1POLB
SCHEMBL7263029 0.80 KDM4E (0.66) KDM4EHSD17B10LMNATNKS2PARP1
SCHEMBL29535139 0.80 KDM4E (0.66) KDM4EHSD17B10LMNATNKS2PARP1
SCHEMBL13618942 0.77 KDM4E (0.59) KDM4EHSD17B10LMNATNKS2PARP1
SCHEMBL5313776 0.77 TYMS (0.72) KDM4EHSD17B10LMNATNKS2PARP1
SCHEMBL3115005 0.77 TYMS (0.72) KDM4EHSD17B10LMNATNKS2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9700543-B2 GLP-1 receptor stabilizers and modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-07-11 — — US disclosed
US-20160310471-A1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS RECEPTOS LLC 2016-10-27 — — US disclosed
US-9278910-B2 GLP-1 receptor stabilizers and modulators RECEPTOS, INC. (US) 2016-03-08 — — US disclosed
US-20140336185-A1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS RECEPTOS LLC 2014-11-13 — — 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 (2 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-20140336185-A1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS GLP1R, GIPR, GHSR KDM4E 3905/4885HSD17B10 4277/4885LMNA 3533/4885
US-20160310471-A1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS GLP1R, GIPR, GHSR KDM4E 3905/4885HSD17B10 4277/4885LMNA 3533/4885

“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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