SCHEMBL1708052

SCHEMBL1708052

CCc1nc2ccc(Cl)cc2n1-c1cccc(C(=O)OC)c1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
PLA2G2A P14555 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
DRD2 P14416 2/20 0.39
TBXA2R P21731 2/20 0.39
ADORA2A P29274 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MYC P01106 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL1708054 0.87 ALDH1A1 (0.48) ALDH1A1POLBRAB9APLA2G2ASMN1; SMN2
SCHEMBL1707968 0.85 TSHR (0.47) ALDH1A1POLBRAB9AGAAMYC
SCHEMBL1708099 0.78 ALDH1A1 (0.46) ALDH1A1POLBRAB9AGAAMYC
SCHEMBL1707881 0.77 TSHR (0.46) ALDH1A1POLBRAB9ADRD2TBXA2R
SCHEMBL1708108 0.77 POLB (0.53) ALDH1A1POLBRAB9AGAAMYC
SCHEMBL1707966 0.75 ALDH1A1 (0.44) ALDH1A1POLBRAB9ADRD2TBXA2R
SCHEMBL1708045 0.75 ALDH1A1 (0.51) ALDH1A1POLBRAB9APLA2G2AMYC
SCHEMBL1708100 0.75 RAB9A (0.51) ALDH1A1POLBRAB9APLA2G2AHSD17B10
SCHEMBL1708635 0.74 ALDH1A1 (0.46) ALDH1A1POLBRAB9APLA2G2AMYC
SCHEMBL1708022 0.72 ALDH1A1 (0.48) ALDH1A1POLBRAB9AMYCTSHR

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 3930/4885POLB 4829/4885RAB9A 2224/4885

“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.