SCHEMBL1207792

SCHEMBL1207792

Nc1ccccc1-c1ncc(-c2ccccc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
C1S P09871 1/20 0.51
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 1/20 0.48
HSD17B1 P14061 3/20 0.46
HSD17B2 P37059 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGDS O60760 2/20 0.44
KDR P35968 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6316444 0.84 PTPN1 (0.50) PTPN1C1SALDH1A1HSD17B10HSD17B1
SCHEMBL15090492 0.81 HSD17B1 (0.58) PTPN1C1SALDH1A1HSD17B1HSD17B2
SCHEMBL185735 0.79 HSD17B1 (0.61) PTPN1ALDH1A1HSD17B1HSD17B2CYP3A4
SCHEMBL30987375 0.78 PTPN1 (0.50) PTPN1C1SALDH1A1HSD17B10HSD17B1
SCHEMBL28745186 0.78 PTPN1 (0.50) PTPN1C1SALDH1A1HSD17B10HSD17B1
SCHEMBL10013448 0.77 HSD17B1 (0.61) PTPN1ALDH1A1HSD17B1HSD17B2CYP3A4
SCHEMBL186863 0.77 HSD17B1 (0.61) PTPN1ALDH1A1HSD17B1HSD17B2CYP3A4
Bromide SCHEMBL11463626 0.77 HSD17B1 (0.59) PTPN1ALDH1A1HSD17B1HSD17B2CYP3A4
SCHEMBL31312542 0.77 HSD17B1 (0.53) PTPN1ALDH1A1HSD17B10HSD17B1HSD17B2
SCHEMBL20379368 0.77 HSD17B1 (0.53) PTPN1ALDH1A1HSD17B10HSD17B1HSD17B2

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 PTPN1 4321/4885C1S 4812/4885ALDH1A1 871/4885

“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.