SCHEMBL1206604

SCHEMBL1206604

O=[N+]([O-])c1ccccc1-n1cc(-c2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL4074297 0.80 HSP90AA1 (0.41) HSP90AA1ALDH1A1TDP1KMT2AMEN1
SCHEMBL11477322 0.79 ALKBH2 (0.56) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL5216617 0.79 NPC1 (0.53) HSP90AA1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11488998 0.78 ALDH1A1 (0.40) HSP90AA1ALDH1A1KMT2AMEN1PKM
SCHEMBL28003527 0.75 BCHE (0.57) ALDH1A1TDP1PTGS1PTGS2CA1
SCHEMBL4080077 0.72 GRM5 (0.36) HSP90AA1ALDH1A1TDP1KMT2AMEN1
SCHEMBL7803870 0.72 MAPT (0.46) ALDH1A1KMT2AMEN1NPC1POLB
SCHEMBL1207015 0.72 L3MBTL1 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL12895346 0.72 L3MBTL1 (0.39) HSP90AA1KMT2AMEN1NPC1MAPT
Biphenyl SCHEMBL27480125 0.72 ALDH1A1 (0.71) ALDH1A1TDP1KMT2AMEN1NPC1

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 4 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
CN-101918371-A Amide derivatives as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2010-12-15 CN 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 HSP90AA1 217/4885ALDH1A1 871/4885TDP1 1199/4885

“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.