SCHEMBL720495

SCHEMBL720495

CN(CCC(=O)OC(c1cc2ccccc2o1)C1CCCCC1)C(=O)c1ccc(NC(c2cc3ccccc3o2)C2CCCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD4 Q15561 1/20 0.34
RCE1 Q9Y256 1/20 0.34
MMP13 P45452 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 4/20 0.34
MAPT P10636 2/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
CTSS P25774 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL719941 0.90 TEAD4 (0.39) TEAD4RCE1MMP13RAB9ANPC1
SCHEMBL13069307 0.85 TEAD4 (0.36) TEAD4RCE1MMP13RAB9ANPC1
SCHEMBL719271 0.80 OPRM1 (0.41) RCE1ABL1RIN1
SCHEMBL720006 0.79 TP53 (0.34) TEAD4RAB9ANPC1MAPTMEN1
SCHEMBL720111 0.79 ALDH1A1 (0.43) RCE1RAB9ANPC1MAOBMEN1
SCHEMBL718424 0.79 HSD17B10 (0.41) RAB9ANPC1MAPTMAOBMEN1
SCHEMBL719470 0.77 RCE1 (0.53) TEAD4RCE1MMP13RAB9ANPC1
SCHEMBL718885 0.77 SMN1; SMN2 (0.43) RAB9ANPC1MAPTMEN1TSHR
SCHEMBL719968 0.75 NPC1 (0.38) TEAD4RAB9ANPC1MAPTMEN1
SCHEMBL3402542 0.74 CASP3 (0.37) RAB9ANPC1MAPTMAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP TEAD4 253/4885RCE1 2661/4885MMP13 2100/4885

“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.