SCHEMBL4514401

SCHEMBL4514401

OCCCCNCc1c(-c2ccc(F)cc2)ccnc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
MAPK14 Q16539 5/20 0.36
LMNA P02545 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
EGFR P00533 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
KCNH3 Q9ULD8 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
RPS6KA3 P51812 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 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
SCHEMBL4515998 0.96 MKNK1 (0.39) CHRM2MAPK14LMNAMKNK1EGFR
SCHEMBL4525368 0.91 CD274 (0.36) MAPK14LMNAMKNK1EGFRSMN1; SMN2
SCHEMBL4524045 0.87 ADORA1 (0.40) CHRM2LMNAHDAC3HDAC1HDAC2
SCHEMBL4516325 0.83 VSIR (0.40) KDM4EGAA
SCHEMBL4509956 0.83 PDCD1 (0.41) HDAC3HDAC1HDAC2HDAC8SMN1; SMN2
SCHEMBL4512711 0.80 PRMT5 (0.41) LMNAMKNK1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL4517460 0.78 VSIR (0.45) KDM4E
SCHEMBL4523437 0.77 RPS6KA3 (0.41) MAPK14LMNASMN1; SMN2ALDH1A1RPS6KA3
SCHEMBL4525266 0.77 CD274 (0.48) SMN1; SMN2MEN1KMT2A
SCHEMBL4514397 0.69 MAPK14 (0.35) MAPK14EGFRSMN1; SMN2ALDH1A1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 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 (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-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 CHRM2 1178/4885MAPK14 2270/4885LMNA 3887/4885

“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.