SCHEMBL1708270

SCHEMBL1708270

COC(=O)c1cccc(-n2c(=S)[nH]c3ccccc32)c1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
MYC P01106 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.43
NR4A2 P43354 3/20 0.43
CREBBP Q92793 1/20 0.41
TSHR P16473 1/20 0.40
MPO P05164 5/20 0.40
PSMB8 P28062 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL3334035 0.77 ALDH1A1 (0.60) ALDH1A1MYCSMN1; SMN2MAPTHPGD
SCHEMBL2313957 0.76 MYC (0.56) ALDH1A1MYCSMN1; SMN2MAPTKMT2A
SCHEMBL1707968 0.70 TSHR (0.47) ALDH1A1POLBRAB9AMYCKMT2A
SCHEMBL2428092 0.69 MPL (0.48) ALDH1A1MYCMAPTHPGDKMT2A
SCHEMBL1708020 0.69 L3MBTL1 (0.52) ALDH1A1POLBRAB9AMYCSMN1; SMN2
SCHEMBL11926706 0.68 MYC (0.66) ALDH1A1POLBMYCSMN1; SMN2MAPT
SCHEMBL1707974 0.68 MAPK1 (0.47) ALDH1A1POLBRAB9AMYCMAPT
SCHEMBL1707881 0.68 TSHR (0.46) ALDH1A1POLBRAB9AMYCKMT2A
SCHEMBL3511612 0.68 LMNA (0.59) ALDH1A1POLBRAB9AMYCMAPT
SCHEMBL1708075 0.68 TSHR (0.45) 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.