SCHEMBL13551087

SCHEMBL13551087

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.39
▸ MAPT P10636 2/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ MAPK14 Q16539 6/20 0.37
▸ MAPK11 Q15759 2/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ HSPB1 P04792 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GAK O14976 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 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
SCHEMBL13551098 1.00 DHODH (0.39) DHODHMAPTCLK2MAPK14MAPK11
SCHEMBL13551097 0.94 DHODH (0.39) DHODHMAPTCLK2MAPK14MAPK11
SCHEMBL13551088 0.94 DHODH (0.39) DHODHMAPTCLK2MAPK14MAPK11
SCHEMBL12662488 0.92 P2RX1 (0.38) DHODHMAPTTP53
SCHEMBL12662486 0.92 P2RX1 (0.38) DHODHMAPTTP53
SCHEMBL12662490 0.92 DHODH (0.40) DHODHMAPTTP53PDE3BPDE3A
SCHEMBL13551092 0.92 DHODH (0.40) DHODHMAPTTP53PDE3BPDE3A
SCHEMBL12662512 0.92 MAPK14 (0.37) MAPTCLK2MAPK14MAPK11MAPK13
SCHEMBL12662515 0.92 MAPK14 (0.37) MAPTCLK2MAPK14MAPK11MAPK13
SCHEMBL12662602 0.90 PARP1 (0.41) DHODHMAPTCLK2MAPK14TP53

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
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
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 (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-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 DHODH 1291/4885MAPT 1192/4885CLK2 309/4885

“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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