SCHEMBL1207103

SCHEMBL1207103

NC(=O)c1nnc(-c2ccccc2N)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 1/20 0.50
▸ PTGES O14684 3/20 0.46
▸ ALOX5 P09917 2/20 0.46
▸ HSD17B10 Q99714 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALDH1A1 P00352 8/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 7/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41

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
SCHEMBL27835703 0.87 DDX3X (0.47) DDX3XPTGESALOX5HSD17B10TP53
SCHEMBL1207630 0.83 DDX3X (0.50) DDX3XPTGESALOX5HSD17B10TP53
SCHEMBL1207007 0.79 ALDH1A1 (0.51) DDX3XHSD17B10ALOX15ALDH1A1L3MBTL1
SCHEMBL191761 0.77 NPC1 (0.49) TP53ALDH1A1KDM4ESMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL3691522 0.76 NPC1 (0.48) TP53ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL1206600 0.75 HTR2C (0.47) HSD17B10ALOX15ALDH1A1L3MBTL1KDM4E
SCHEMBL1207261 0.73 ALDH1A1 (0.52) DDX3XHSD17B10ALDH1A1L3MBTL1KDM4E
SCHEMBL4367503 0.72 SMN1; SMN2 (0.55) HSD17B10ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL1206577 0.72 ALDH1A1 (0.54) DDX3XPTGESALOX5HSD17B10ALDH1A1
SCHEMBL11025136 0.72 ALDH1A1 (0.50) DDX3XPTGESALOX5HSD17B10ALDH1A1

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 7 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
CN-101918371-A Amide derivatives as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2010-12-15 — — CN 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 DDX3X 3952/4885PTGES 782/4885ALOX5 1032/4885

“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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