SCHEMBL718639

SCHEMBL718639

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(O)cc3c2C)C2CCCCC2)cc1.Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(OCc3ccccn3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
ALOX5 P09917 1/20 0.35
MAPK14 Q16539 3/20 0.33
SMO Q99835 2/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RCE1 Q9Y256 1/20 0.32
TEAD4 Q15561 1/20 0.32

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
SCHEMBL719109 0.96 EGFR (0.40) EGFRALOX5MAPK14SMOKDM4E
SCHEMBL3400948 0.93 ALOX5 (0.39) ALOX5MAPK14SMONPC1RAB9A
SCHEMBL718844 0.88 KDM4E (0.38) EGFRKDM4EALDH1A1TSHRMAPK1
SCHEMBL721587 0.88 KDM4E (0.35) MAPK14KDM4EALDH1A1TSHRMAPK1
SCHEMBL718427 0.87 KMT2A (0.35) KDM4EALDH1A1TSHRMAPK1HSD17B10
SCHEMBL724281 0.87 GPR132 (0.37) MAPK14KDM4EALDH1A1TSHRMAPK1
SCHEMBL718846 0.86 KDM4E (0.36) MAPK14KDM4EALDH1A1TSHRMAPK1
SCHEMBL719088 0.85 PTGS2 (0.39) NPC1RAB9AMEN1KMT2ARCE1
SCHEMBL720179 0.85 MAPK14 (0.37) MAPK14KDM4EALDH1A1TSHRMAPK1
SCHEMBL720498 0.85 CASP3 (0.40) KDM4EALDH1A1NPC1RAB9AMAPT

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 EGFR 4453/4885ALOX5 943/4885MAPK14 394/4885

“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.