SCHEMBL12662490

SCHEMBL12662490

O=C(Nc1cccc(OC[C@@H](O)CO)c1)c1cccc2[nH]c(-c3ccccc3C(F)F)nc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.40
▸ MAPT P10636 3/20 0.39
▸ PARP1 P09874 3/20 0.39
▸ TP53 P04637 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ P2RY12 Q9H244 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL13551092 1.00 DHODH (0.40) DHODHMAPTPARP1TP53GAA
SCHEMBL13551098 0.92 DHODH (0.39) DHODHMAPTTP53PDE3BPDE3A
SCHEMBL13551087 0.92 DHODH (0.39) DHODHMAPTTP53PDE3BPDE3A
SCHEMBL13551088 0.92 DHODH (0.39) DHODHMAPTTP53KDM4EPDE3B
SCHEMBL13551097 0.92 DHODH (0.39) DHODHMAPTTP53KDM4EPDE3B
SCHEMBL12662505 0.91 PRMT5 (0.38) MAPTGAAKDM4ESMN1; SMN2LMNA
SCHEMBL1890146 0.91 DHODH (0.39) DHODHPARP1
SCHEMBL12662506 0.91 PRMT5 (0.38) MAPTGAAKDM4ESMN1; SMN2LMNA
SCHEMBL1890148 0.91 DHODH (0.39) DHODHPARP1
SCHEMBL17787680 0.91 DHODH (0.39) DHODHPARP1

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 DHODH 1336/4885MAPT 1186/4885PARP1 287/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 DHODH 1291/4885MAPT 1192/4885PARP1 331/4885

“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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