SCHEMBL14874673

SCHEMBL14874673

CCOC(=O)c1cnc(SC)nc1-c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
HTT P42858 1/20 0.56
RXFP1 Q9HBX9 3/20 0.55
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 2/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 6/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ATM Q13315 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SYK P43405 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 2/20 0.51
GPR55 Q9Y2T6 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
FOS P01100 1/20 0.47
JUN P05412 1/20 0.47

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
SCHEMBL3442518 0.88 ALDH1A1 (0.70) MAPK1RXFP1ALDH1A1TDP1POLB
SCHEMBL14874458 0.87 ALDH1A1 (0.54) MAPK1HTTRXFP1ALDH1A1TDP1
SCHEMBL6016291 0.82 RXFP1 (0.62) RXFP1POLBMAPT
SCHEMBL22451091 0.81 PDE4B (0.66) MAPK1HTTALDH1A1TDP1POLB
SCHEMBL2953742 0.81 ALDH1A1 (0.58) MAPK1HTTALDH1A1TDP1POLB
SCHEMBL6338112 0.80 SYK (0.80) MAPK1HTTALDH1A1TDP1POLB
SCHEMBL10433933 0.80 ALDH1A1 (0.86) MAPK1ALDH1A1POLBMAPTLMNA
SCHEMBL5711053 0.79 ALDH1A1 (0.58) MAPK1RXFP1ALDH1A1TDP1POLB
SCHEMBL5679891 0.79 ALDH1A1 (0.52) MAPK1HTTALDH1A1TDP1POLB
SCHEMBL6879275 0.78 NPSR1 (0.63) MAPK1HTTALDH1A1TDP1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2583965-B1 HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-01-25 EP disclosed
US-8937055-B2 Heterocyclic ring compound having muscle cell or adipocyte differentiation regulating action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-20 US disclosed
US-20130296276-A2 HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-07 US disclosed
US-20130116214-A1 HETEROCYCLIC RING COMPOUND UJIKAWA OSAMU (JP) 2013-05-09 US disclosed
EP-2583965-A1 HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-04-24 EP 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 (2 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-20130116214-A1 HETEROCYCLIC RING COMPOUND FABP4, CPT1B, GPR119 MAPK1 1130/4885HTT 1741/4885RXFP1 1548/4885
US-20130296276-A2 HETEROCYCLIC RING COMPOUND FABP4, CPT1B, GPR119 MAPK1 1130/4885HTT 1741/4885RXFP1 1548/4885

“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.