SCHEMBL2760433

SCHEMBL2760433

O=Nc1cccc(-c2nc3ncccc3s2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
RAB9A P51151 10/20 0.38
NPC1 O15118 9/20 0.38
KDM4E B2RXH2 8/20 0.38
MAPT P10636 7/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
ALDH1A1 P00352 5/20 0.38
NFKB1 P19838 4/20 0.38
NFKB2 Q00653 4/20 0.38
RELA Q04206 4/20 0.38
HSD17B10 Q99714 4/20 0.38
TP53 P04637 3/20 0.38
POLB P06746 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
PKM P14618 3/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL12910392 0.83 RAB9A (0.43) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL13470771 0.79 NPC1 (0.61) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL23172713 0.79 RAB9A (0.40) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL5749417 0.78 NPC1 (0.47) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL219670 0.77 BCHE (0.55) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL29064014 0.76 KDM4E (0.46) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL26833290 0.75 DCTPP1 (0.43) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL23458481 0.73 KDM4E (0.59) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL13470753 0.73 RAB9A (0.48) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL23502882 0.73 BCHE (0.39) RAB9ANPC1KDM4EMAPTSMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8163908-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-8088928-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8044198-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20090099170-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-16 US disclosed
US-7345178-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2008-03-18 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 (4 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-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 PTGS1 925/4885PTGS2 1150/4885RAB9A 965/4885
US-20090099170-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 PTGS1 925/4885PTGS2 1150/4885RAB9A 965/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 PTGS1 925/4885PTGS2 1150/4885RAB9A 965/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 PTGS1 925/4885PTGS2 1150/4885RAB9A 965/4885

“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.