SCHEMBL1207261

SCHEMBL1207261

Cc1nnc(-c2ccccc2N)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 6/20 0.49
GAA P10253 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HSD17B10 Q99714 3/20 0.46
HPGD P15428 1/20 0.46
DDX3X O00571 1/20 0.43
MGAM O43451 3/20 0.40

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
SCHEMBL21091032 0.82 ALDH1A1 (0.51) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL15690327 0.81 GAA (0.56) ALDH1A1L3MBTL1KDM4EGAATDP1
SCHEMBL18610916 0.80 KDM4E (0.61) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL1206577 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1KDM4EGAATDP1
SCHEMBL11025136 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EGAATDP1
SCHEMBL2439298 0.78 ALDH1A1 (0.62) ALDH1A1L3MBTL1KDM4ETDP1SMN1; SMN2
SCHEMBL11505802 0.77 MGAM (0.50) ALDH1A1GAASMN1; SMN2NPC1MAPT
SCHEMBL1208231 0.76 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4EGAATDP1
SCHEMBL1207145 0.76 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4EGAATDP1
SCHEMBL2442712 0.76 HSD11B1 (0.54) ALDH1A1HPGD

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 16 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
WO-1997010228-A1 SUBSTITUTED BENZOIC OR THIOBENZOIC ACID ANILIDES AS FUNGICIDES AGREVO UK LIMITED (GB) 1997-03-20 WO disclosed
US-4810282-A 3-ORTHO-(ISOXAZOLYL,ISOTHIAZOLYL, PYRAZOLYL,THIADIAZOLYL, OXADIAZOLYL AND TRIAZOLYL BENZENESULFONUREYLENE-1,2,4-TRIAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US disclosed
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP disclosed
US-4695311-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-22 US disclosed
US-4606755-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-19 US disclosed
US-4514214-A Herbicidal sulfamates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 US disclosed
US-4511392-A N--/PYRIMIDIN-2-YLAMINOCARBENYL/-HETERO-SUBSTITUETED BENZENSESULFO E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 US disclosed
US-4475944-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-09 US disclosed
EP-0096593-A2 Herbicidal sulfamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-12-21 EP disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP 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 ALDH1A1 871/4885L3MBTL1 3254/4885KDM4E 1780/4885

“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.