SCHEMBL722249

SCHEMBL722249

COC(=O)c1ccc(NC(CC(C)C)c2sc3ccccc3c2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CMA1 P23946 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
NOD2 Q9HC29 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 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
SCHEMBL719032 0.89 GCGR (0.38) MAPTTP53RXFP1MAPK1ALDH1A1
SCHEMBL718064 0.85 GABRA5 (0.40) CMA1SMN1; SMN2LMNAMAPK1KMT2A
SCHEMBL722924 0.82 GCGR (0.56)
SCHEMBL718138 0.81 GCGR (0.39)
SCHEMBL718977 0.80 MAPT (0.43) MAPTTP53RXFP1CMA1SMN1; SMN2
SCHEMBL720271 0.77 ALDH1A1 (0.41) MAPTTP53RXFP1CMA1SMN1; SMN2
SCHEMBL718863 0.76 TNKS (0.43) MAPTSMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL23680776 0.73 MEN1 (0.53) MAPTSMN1; SMN2MAPK1ALDH1A1KMT2A
SCHEMBL724215 0.70 GCG (0.54)
SCHEMBL719473 0.70 GCG (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885TP53 293/4885RXFP1 3336/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885TP53 293/4885RXFP1 3336/4885

“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.