SCHEMBL719002

SCHEMBL719002

O=C(O)c1ccc(NC(c2csc3ccccc23)C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 3/20 0.52
MERTK Q12866 1/20 0.40
CMA1 P23946 1/20 0.38
PGR P06401 1/20 0.37
TEAD4 Q15561 1/20 0.36
ALOX5 P09917 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
MTNR1A P48039 1/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B2 P37059 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SRD5A2 P31213 1/20 0.34

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
SCHEMBL719326 0.85 GCG (0.46) RCE1CYP2D6
SCHEMBL718994 0.84 RCE1 (0.38) RCE1ALOX5HDAC6
SCHEMBL721163 0.79 GCG (0.38) RCE1CMA1HDAC6MTNR1A
SCHEMBL718541 0.78 RCE1 (0.46) RCE1MERTKPGRTEAD4MAPT
SCHEMBL720764 0.78 RCE1 (0.46) RCE1MERTKPGRTEAD4NPC1
SCHEMBL718249 0.77 RCE1 (0.44) RCE1MERTKPGRNPC1MAPT
SCHEMBL718796 0.76 RCE1 (0.53) RCE1MERTKPGRTEAD4LMNA
SCHEMBL3109922 0.73 RCE1 (0.52) RCE1PGRTEAD4NPC1MAPT
SCHEMBL3099322 0.73 RCE1 (0.53) RCE1TEAD4NPC1RAB9ACYP2D6
SCHEMBL721261 0.71 NR3C1 (0.47) ALOX5LMNAHPGDHTTHSD17B2

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 RCE1 2661/4885MERTK 3340/4885CMA1 3061/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885MERTK 3340/4885CMA1 3061/4885

“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.