SCHEMBL1208150

SCHEMBL1208150

Nc1ccccc1-c1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 3/20 0.48
ADORA3 P0DMS8 1/20 0.45
IDO1 P14902 3/20 0.42
DCUN1D1 Q96GG9 1/20 0.41
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 4/20 0.40
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATR Q13535 1/20 0.40
KIT P10721 1/20 0.39

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
SCHEMBL7139471 0.87 DCUN1D1 (0.49) ALDH1A1HSD17B10ADORA3IDO1DCUN1D1
SCHEMBL7054354 0.86 ADORA3 (0.49) ALDH1A1HSD17B10ADORA3IDO1DCUN1D1
SCHEMBL29785392 0.84 DCUN1D1 (0.44) ALDH1A1ADORA3DCUN1D1KDM4EMEN1
SCHEMBL28813677 0.84 DCUN1D1 (0.44) ALDH1A1ADORA3DCUN1D1KDM4EMEN1
SCHEMBL4768373 0.84 ADORA3 (0.53) ALDH1A1ADORA3KDM4ENPC1GAA
SCHEMBL27741612 0.81 PIM1 (0.38) ALDH1A1DCUN1D1KDM4EMEN1KMT2A
SCHEMBL27741609 0.79 MAP4K1 (0.46) ALDH1A1IDO1DCUN1D1MEN1KMT2A
SCHEMBL7139325 0.79 IDO1 (0.42) ALDH1A1HSD17B10ADORA3IDO1DCUN1D1
SCHEMBL27741798 0.79 NR1H2 (0.49) ALDH1A1HSD17B10IDO1DCUN1D1KDM4E
SCHEMBL26110810 0.79 NPC1 (0.49) ALDH1A1IDO1DCUN1D1KDM4EKMT2A

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 ALDH1A1 871/4885HSD17B10 769/4885ADORA3 2613/4885

“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.