SCHEMBL1708176

SCHEMBL1708176

CCc1nc2cccc(C)c2n1-c1cccc(C=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
PIK3CD O00329 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
TLR8 Q9NR97 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNJ1 P48048 1/20 0.33
TP53 P04637 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1708353 0.78 L3MBTL1 (0.38) L3MBTL1PIK3CDALDH1A1TSHRTLR8
SCHEMBL1708373 0.77 BMI1 (0.40) L3MBTL1ALDH1A1POLBTDP1
SCHEMBL11038477 0.69 PDE10A (0.42) L3MBTL1ALDH1A1TLR8POLBTDP1
SCHEMBL18013793 0.67 L3MBTL1 (0.42) L3MBTL1PIK3CDALDH1A1THRBPOLB
SCHEMBL20404285 0.67 HDAC1 (0.50) L3MBTL1PIK3CDALDH1A1POLBSMN1; SMN2
SCHEMBL17994368 0.66 L3MBTL1 (0.41) L3MBTL1ALDH1A1TSHRPOLB
SCHEMBL17945686 0.66 L3MBTL1 (0.41) L3MBTL1PIK3CDALDH1A1TSHRMEN1
SCHEMBL17994355 0.66 L3MBTL1 (0.41) L3MBTL1PIK3CDALDH1A1TSHRPDE4D
SCHEMBL1707986 0.66 MAPK1 (0.48) ALDH1A1TSHRTP53
SCHEMBL1707973 0.65 ALDH1A1 (0.40) HCAR1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R L3MBTL1 4617/4885PIK3CD 1702/4885HCAR1 82/4885

“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.