SCHEMBL1916014

SCHEMBL1916014

CNc1nc(-c2ccccc2C#N)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 2/20 0.51
THRB P10828 1/20 0.51
AR P10275 1/20 0.49
TSHR P16473 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TRPV4 Q9HBA0 1/20 0.42
POLB P06746 1/20 0.40
VCP P55072 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2399679 0.80 AR (0.51) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL27551768 0.80 KDM4E (0.57) KMT2AMEN1KDM4ETSHRL3MBTL1
SCHEMBL19679620 0.78 KMT2A (0.56) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL10922272 0.77 GSTO1 (0.45) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL1915608 0.76 AR (0.56) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL1916379 0.76 NPC1 (0.58) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL1914839 0.76 HSD17B10 (0.60) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL17150985 0.76 MAOB (0.63) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL21225204 0.76 RORC (0.47) KMT2AALDH1A1MEN1MAPTTSHR
SCHEMBL14048213 0.75 MAPT (0.61) KMT2AALDH1A1MEN1MAPTTDP1

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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC KMT2A 3648/4885ALDH1A1 623/4885MEN1 1084/4885

“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.