SCHEMBL1707968

SCHEMBL1707968

CCc1nc2ccccc2n1-c1cccc(C(=O)OC)c1C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MYC P01106 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL1707881 0.91 TSHR (0.46) TSHRRAB9AALDH1A1POLBMYC
SCHEMBL1707966 0.89 ALDH1A1 (0.44) TSHRRAB9AALDH1A1POLBMYC
SCHEMBL1708054 0.85 ALDH1A1 (0.48) TSHRRAB9AALDH1A1POLBMYC
SCHEMBL1708052 0.85 ALDH1A1 (0.48) TSHRRAB9AALDH1A1POLBMYC
SCHEMBL1708039 0.85 TSHR (0.45) TSHRRAB9AALDH1A1POLBMYC
SCHEMBL1708099 0.85 ALDH1A1 (0.46) TSHRRAB9AALDH1A1POLBMYC
SCHEMBL1708020 0.82 L3MBTL1 (0.52) TSHRRAB9AALDH1A1POLBMYC
SCHEMBL1707974 0.81 MAPK1 (0.47) TSHRRAB9AALDH1A1POLBMYC
SCHEMBL1708075 0.81 TSHR (0.45) TSHRRAB9AALDH1A1POLBMYC
SCHEMBL1707939 0.76 DRD2 (0.60) PTGDR2

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 TSHR 637/4885RAB9A 2224/4885ALDH1A1 3930/4885

“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.