SCHEMBL1708275

SCHEMBL1708275

Cc1c(CO)cccc1-n1c(C)nc2ccc(C(F)(F)F)cc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BMI1 P35226 3/20 0.37
TSHR P16473 1/20 0.37
PDE2A O00408 7/20 0.37
PDE10A Q9Y233 7/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHODH Q02127 1/20 0.35
PIK3C2B O00750 1/20 0.35
CYP1A2 P05177 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
PDE7A Q13946 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL3797322 0.81 ALDH1A1 (0.46) BMI1ALDH1A1L3MBTL1DHODH
SCHEMBL1708065 0.80 TSHR (0.59) TSHRALDH1A1L3MBTL1
SCHEMBL1708022 0.78 ALDH1A1 (0.48) BMI1TSHRPDE2APDE10AALDH1A1
SCHEMBL3792403 0.75 BMI1 (0.35) BMI1ALDH1A1L3MBTL1CYP11B1CYP11B2
SCHEMBL1708124 0.75 MAPK1 (0.48) TSHRALDH1A1CYP1A2
SCHEMBL3796465 0.74 BMI1 (0.34) BMI1ALDH1A1
SCHEMBL1708381 0.73 BMI1 (0.40) BMI1TSHRL3MBTL1CYP11B1CYP11B2
SCHEMBL1707938 0.71 DHFR (0.39) ALDH1A1PIK3C2B
SCHEMBL3792099 0.71 HSD17B10 (0.44) ALDH1A1L3MBTL1DHODH
SCHEMBL21621709 0.70 PDCD1 (0.40) TSHRALDH1A1HCAR1

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 BMI1 2098/4885TSHR 637/4885PDE2A 1435/4885

“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.