SCHEMBL1708119

SCHEMBL1708119

Cc1c(C=O)cccc1-n1c(C)nc2ccc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.40
HCAR1 Q9BXC0 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
BMI1 P35226 2/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GSR P00390 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CHEK1 O14757 1/20 0.36
ATR Q13535 1/20 0.36
PDCD1 Q15116 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36
PDE2A O00408 1/20 0.36

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
SCHEMBL1708373 0.86 BMI1 (0.40) L3MBTL1CYP11B1CYP11B2BMI1POLB
SCHEMBL1708045 0.77 ALDH1A1 (0.51) TSHRCYP11B2POLBALDH1A1
SCHEMBL3052790 0.72 MAPK1 (0.65) L3MBTL1GLAHCAR1CYP11B1CYP11B2
SCHEMBL1707986 0.71 MAPK1 (0.48) TSHRALDH1A1GSRKDM4E
SCHEMBL1708114 0.70 DHFR (0.41) L3MBTL1TSHRALDH1A1KDM4EPDE10A
SCHEMBL13495653 0.70 MAPK1 (0.66) L3MBTL1GLATSHRPOLBALDH1A1
SCHEMBL13495696 0.68 NR1H2 (0.61) CYP11B1CYP11B2CHEK1ATRPDCD1
SCHEMBL13495667 0.68 GLA (0.48) L3MBTL1GLATSHRCYP11B1CYP11B2
SCHEMBL15742320 0.68 GSR (0.43) L3MBTL1GLACYP11B1CYP11B2BMI1
SCHEMBL13495703 0.68 MAPK1 (0.54) CYP11B1CYP11B2POLBALDH1A1KDM4E

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 4617/4885GLA 3059/4885TSHR 637/4885

“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.