SCHEMBL1206600

SCHEMBL1206600

Nc1ccccc1-c1nnc(C(=O)N2CCOCC2)s1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ HPGD P15428 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL1208564 0.81 SMN1; SMN2 (0.54) HPGDALDH1A1HSD17B10KDM4EGAA
SCHEMBL27835703 0.75 DDX3X (0.47) HPGDALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL1207103 0.75 DDX3X (0.50) HPGDALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL1207814 0.75 AR (0.58) GAANPC1RAB9AMAPT
SCHEMBL1206548 0.73 ALDH1A1 (0.36) HPGDALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL1207630 0.72 DDX3X (0.50) HPGDALDH1A1ALOX15HSD17B10KDM4E
(2-Aminophenyl)(Morpholino)Methanone SCHEMBL30988542 0.70 GAA (0.62) HPGDALDH1A1HSD17B10KDM4EGAA
(2-Aminophenyl)(Morpholino)Methanone SCHEMBL11446442 0.70 GAA (0.62) HPGDALDH1A1HSD17B10KDM4EGAA
SCHEMBL10578647 0.69 HPGD (0.51) HPGDALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL5007920 0.68 HPGD (0.51) HTR2CHPGDALDH1A1ALOX15HSD17B10

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
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 — — US disclosed
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 — — US disclosed
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 — — US disclosed
EP-2215066-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2010-08-11 — — EP disclosed
WO-2009058348-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-07 — — WO disclosed
WO-2009058348-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-07 — — 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-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4482/4885CNR1 2601/4885HPGD 250/4885

“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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