SCHEMBL1707973

SCHEMBL1707973

Cc1c(C=O)cccc1-n1c(C2CC2)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HCAR1 Q9BXC0 1/20 0.40
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
TSHR P16473 1/20 0.39
BMI1 P35226 1/20 0.38

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
SCHEMBL1708075 0.77 TSHR (0.45) ALDH1A1CNR2CNR1TSHRBMI1
SCHEMBL1707986 0.77 MAPK1 (0.48) ALDH1A1TSHR
SCHEMBL1708252 0.71 DHFR (0.41) ALDH1A1
SCHEMBL10818327 0.70 SCN9A (0.55) ALDH1A1GAATSHRBMI1
SCHEMBL1708119 0.68 L3MBTL1 (0.41) ALDH1A1HCAR1TSHRBMI1
SCHEMBL5851500 0.66 TAAR1 (0.60) ALDH1A1GAA
SCHEMBL6439085 0.65 ESR2 (0.56) ALDH1A1GAABMI1
SCHEMBL1708373 0.65 BMI1 (0.40) ALDH1A1BMI1
SCHEMBL1708176 0.65 L3MBTL1 (0.38) ALDH1A1HCAR1TSHR
SCHEMBL13052920 0.65 USP2 (0.52) ALDH1A1GAACNR2CNR1BMI1

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 ALDH1A1 3930/4885GAA 3185/4885HCAR1 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.