SCHEMBL1895145

SCHEMBL1895145

CC(C)(C)OC(=O)N1CCC(Oc2ccccc2-c2nc3c(C(=O)O)cccc3[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.51
KDM1A O60341 1/20 0.45
GPR119 Q8TDV5 2/20 0.45
CHEK2 O96017 1/20 0.44
DHODH Q02127 6/20 0.43

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
SCHEMBL1889312 0.95 PARP1 (0.50) PARP1DHODH
SCHEMBL12673083 0.83 PDE5A (0.60) PARP1DHODH
SCHEMBL5098530 0.80 KDM1A (0.55) KDM1AGPR119
SCHEMBL1889694 0.79 PARP1 (0.46) PARP1
SCHEMBL13551060 0.79 PARP1 (0.46) PARP1
SCHEMBL213729 0.77 KDM1A (0.56) PARP1KDM1AGPR119CHEK2
Hydrochloric Acid SCHEMBL215238 0.76 KDM1A (0.55) PARP1KDM1AGPR119CHEK2
SCHEMBL7401499 0.76 KDM1A (0.53) KDM1AGPR119
SCHEMBL4495617 0.75 PARP1 (0.56) PARP1
SCHEMBL17456070 0.74 KDM1A (0.54) KDM1AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
US-8846947-B2 Benzimidazoles and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO 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-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 287/4885KDM1A 781/4885GPR119 165/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885KDM1A 779/4885GPR119 137/4885

“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.