SCHEMBL1206446

SCHEMBL1206446

Nc1ccccc1-c1nc(-c2ccccc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
SREBF2 Q12772 1/20 0.60
KDM4E B2RXH2 5/20 0.59
KMT2A Q03164 3/20 0.59
AR P10275 1/20 0.59
RAB9A P51151 8/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
NPC1 O15118 5/20 0.58
MEN1 O00255 2/20 0.58
CYP3A4 P08684 2/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
PLAU P00749 5/20 0.52

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
SCHEMBL1206993 0.88 RAB9A (0.66) ALDH1A1SREBF2KDM4EKMT2AAR
SCHEMBL17014792 0.84 CYP19A1 (0.70) ALDH1A1KDM4ERAB9ANPC1CYP3A4
SCHEMBL6225037 0.83 EIF4E (0.46) ALDH1A1SREBF2KDM4EKMT2AAR
SCHEMBL1821128 0.83 ALDH1A1 (0.54) ALDH1A1SREBF2KDM4EKMT2AAR
SCHEMBL11461511 0.82 SREBF2 (0.65) ALDH1A1SREBF2KDM4EKMT2AAR
SCHEMBL2781370 0.81 KDM4E (0.85) ALDH1A1SREBF2KDM4EKMT2AAR
SCHEMBL23742623 0.80 RAB9A (0.63) ALDH1A1SREBF2KDM4EKMT2AAR
SCHEMBL11146948 0.80 RAB9A (0.55) ALDH1A1SREBF2KDM4EKMT2AAR
SCHEMBL11213828 0.79 SREBF2 (0.82) ALDH1A1SREBF2KDM4EKMT2AAR
SCHEMBL11212983 0.79 SREBF2 (0.82) ALDH1A1SREBF2KDM4EKMT2AAR

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 12 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
US-20050277676-A1 M3muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2005-12-15 US disclosed
EP-1549278-A4 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2005-12-14 EP disclosed
EP-1549278-A2 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-06 EP disclosed
WO-2004012684-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-02-12 WO disclosed
US-4197306-A CONTROL OF INSECTS AND ACARIDS UNIROYAL, INC. (US) 1980-04-08 US disclosed
US-4153703-A Method of controlling insects and acarids with certain aryl-substituted thiazoles UNIROYAL, INC. (US) 1979-05-08 US 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 (2 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 871/4885SREBF2 223/4885KDM4E 1780/4885
US-20050277676-A1 M3muscarinic acetylcholine receptor antagonists CHRM3, CHRM2, CHRM5 ALDH1A1 2606/4885SREBF2 4408/4885KDM4E 4337/4885

“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.