SCHEMBL724281

SCHEMBL724281

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(OCc4cccnc4)cc3c2C)C2CCCCC2)cc1.Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(OCc3cccnc3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 8/20 0.37
MAPK14 Q16539 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CSF1R P07333 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BCHE P06276 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
RECQL P46063 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
SCHEMBL720179 0.98 MAPK14 (0.37) GPR132MAPK14KDM4EALDH1A1LMNA
SCHEMBL719031 0.96 GPR132 (0.40) GPR132MAPK14CYP4F2CYP4A11LMNA
SCHEMBL721587 0.93 KDM4E (0.35) MAPK14CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL718844 0.92 KDM4E (0.38) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL718846 0.91 KDM4E (0.36) MAPK14KDM4EALDH1A1MEN1KMT2A
SCHEMBL719458 0.90 ALDH1A1 (0.33) CYP4F2CYP4A11KDM4EALDH1A1LMNA
SCHEMBL720498 0.88 CASP3 (0.40) CYP4F2CYP4A11KDM4EALDH1A1LMNA
SCHEMBL719700 0.88 ALDH1A1 (0.34) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL721186 0.88 NPC1 (0.35) MAPK14CYP4F2CYP4A11KMT2ACSF1R
SCHEMBL719699 0.87 KDM4E (0.34) KDM4EALDH1A1MEN1KMT2AHPGD

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 GPR132 1301/4885MAPK14 394/4885CYP4F2 471/4885

“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.