SCHEMBL720179

SCHEMBL720179

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(OCc4cccnc4)cc3c2C)C2CCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
GPR132 Q9UNW8 2/20 0.37
CSF1R P07333 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
BCHE P06276 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 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
SCHEMBL724281 0.98 GPR132 (0.37) MAPK14GPR132CSF1RKDM4EALDH1A1
SCHEMBL719031 0.94 GPR132 (0.40) MAPK14GPR132CSF1RNPC1RAB9A
SCHEMBL718846 0.92 KDM4E (0.36) MAPK14KDM4EALDH1A1HPGDTSHR
SCHEMBL718844 0.92 KDM4E (0.38) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL721587 0.90 KDM4E (0.35) MAPK14KDM4EALDH1A1HPGDTSHR
SCHEMBL719700 0.90 ALDH1A1 (0.34) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL719699 0.89 KDM4E (0.34) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL719109 0.89 EGFR (0.40) MAPK14KDM4EALDH1A1HPGDTSHR
SCHEMBL719458 0.88 ALDH1A1 (0.33) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL716683 0.87 NPC1 (0.43) KDM4EALDH1A1TSHRMAPK1NPC1

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 MAPK14 394/4885GPR132 1301/4885CSF1R 2182/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPK14 394/4885GPR132 1301/4885CSF1R 2182/4885

“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.