SCHEMBL1206993

SCHEMBL1206993

Nc1ccccc1-c1csc(-c2ccccc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
CASP3 P42574 1/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
NPC1 O15118 6/20 0.60
KDM4E B2RXH2 5/20 0.57
KMT2A Q03164 3/20 0.57
AR P10275 2/20 0.57
SREBF2 Q12772 1/20 0.54
MAPT P10636 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP19A1 P11511 1/20 0.53
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL1206446 0.88 ALDH1A1 (0.61) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL11213832 0.87 RAB9A (0.77) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL4367505 0.80 HSD17B10 (0.67) RAB9ASMN1; SMN2NPC1KDM4EKMT2A
SCHEMBL13379242 0.79 RAB9A (1.00) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL17336572 0.79 RAB9A (0.66) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL11533708 0.79 RAB9A (0.66) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL13545630 0.79 RAB9A (0.44) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL2781370 0.79 KDM4E (0.85) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL11213828 0.77 SREBF2 (0.82) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL11212983 0.77 SREBF2 (0.82) RAB9ASMN1; SMN2CASP3SENP8SENP7

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 5 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

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 RAB9A 869/4885SMN1; SMN2 2194/4885CASP3 556/4885

“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.