SCHEMBL1208217

SCHEMBL1208217

Nc1ccccc1-c1nnc(-c2cccnc2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
RAB9A P51151 5/20 0.52
NPC1 O15118 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP3A4 P08684 4/20 0.46
CYP2A6 P11509 4/20 0.46
CYP2E1 P05181 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2B6 P20813 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.44
ALOX5 P09917 1/20 0.43
CYP1A2 P05177 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1206577 0.83 ALDH1A1 (0.54) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL1424931 0.83 KDM4E (0.75) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL1207035 0.82 ALDH1A1 (0.58) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL8052355 0.81 KDM4E (0.55) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL8054297 0.81 KDM4E (0.56) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL29450604 0.79 ALDH1A1 (0.58) KDM4ESMN1; SMN2MEN1CYP3A4CYP2A6
SCHEMBL221510 0.79 ALDH1A1 (0.58) KDM4ESMN1; SMN2MEN1CYP3A4CYP2A6
SCHEMBL170969 0.78 KDM4E (1.00) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL30494594 0.78 KDM4E (1.00) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL12278703 0.76 KDM4E (0.66) KDM4ESMN1; SMN2RAB9ANPC1MEN1

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 KDM4E 1780/4885SMN1; SMN2 2194/4885RAB9A 869/4885

“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.