SCHEMBL1708020

SCHEMBL1708020

COC(=O)c1cccc(-n2c(SC)nc3ccccc32)c1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
SLC22A12 Q96S37 1/20 0.46
MYC P01106 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 3/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL1707968 0.82 TSHR (0.47) L3MBTL1TSHRALDH1A1POLBRAB9A
SCHEMBL1707939 0.82 DRD2 (0.60) PTGDR2MAPT
SCHEMBL1707974 0.81 MAPK1 (0.47) TSHRALDH1A1POLBRAB9ASLC22A12
SCHEMBL1707881 0.81 TSHR (0.46) L3MBTL1TSHRALDH1A1POLBRAB9A
SCHEMBL1708075 0.80 TSHR (0.45) TSHRALDH1A1POLBRAB9ASLC22A12
SCHEMBL1708039 0.80 TSHR (0.45) TSHRALDH1A1POLBRAB9APTGDR2
SCHEMBL1707966 0.79 ALDH1A1 (0.44) TSHRALDH1A1POLBRAB9APTGDR2
SCHEMBL1708016 0.76 TSHR (0.57) TSHRALDH1A1POLBPTGDR2SLC22A12
SCHEMBL1708108 0.73 POLB (0.53) L3MBTL1TSHRALDH1A1POLBRAB9A
SCHEMBL6675479 0.71 LMNA (0.48) L3MBTL1TSHRALDH1A1LMNASMN1; SMN2

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 4617/4885TSHR 637/4885ALDH1A1 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.