SCHEMBL12662486

SCHEMBL12662486

O=C(Nc1cccc(OC[C@H](O)CO)c1)c1cccc2[nH]c(-c3ccc(Cl)cc3C(F)F)nc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ PYGL P06737 4/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ FADS1 O60427 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL12662488 1.00 P2RX1 (0.38) P2RX1MAPTPYGLTP53PTGES
SCHEMBL13551087 0.92 DHODH (0.39) MAPTTP53DHODH
SCHEMBL13551098 0.92 DHODH (0.39) MAPTTP53DHODH
SCHEMBL12662507 0.92 P2RX1 (0.37) P2RX1MAPTPYGLTP53PTGES
SCHEMBL12662509 0.92 P2RX1 (0.37) P2RX1MAPTPYGLTP53PTGES
SCHEMBL13551092 0.91 DHODH (0.40) MAPTTP53DHODH
SCHEMBL12662490 0.91 DHODH (0.40) MAPTTP53DHODH
SCHEMBL17787712 0.89 P2RX1 (0.42) P2RX1MAPTPYGLPTGES
SCHEMBL12662087 0.89 P2RX1 (0.42) P2RX1MAPTPYGLPTGES
SCHEMBL13551088 0.88 DHODH (0.39) MAPTTP53DHODH

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
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 — — US disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 — — US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 — — 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 P2RX1 2644/4885MAPT 1186/4885PYGL 903/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 P2RX1 2120/4885MAPT 1192/4885PYGL 1144/4885

“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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