SCHEMBL4512711

SCHEMBL4512711

OCCNCc1c(-c2ccc(Cl)cc2)ccnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MCHR1 Q99705 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
STAT3 P40763 1/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.36
LRRK2 Q5S007 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4525368 0.89 CD274 (0.36) MEN1KMT2AMKNK1PDCD1CD274
SCHEMBL4525266 0.88 CD274 (0.48) PRMT5WDR77MEN1KMT2APDCD1
SCHEMBL4515998 0.81 MKNK1 (0.39) MKNK1CYP3A4ALDH1A1LMNAKDM4E
SCHEMBL4517460 0.80 VSIR (0.45) PDCD1CD274KDM4E
SCHEMBL4509956 0.80 PDCD1 (0.41) MEN1KMT2APDCD1CD274CYP3A4
SCHEMBL4514401 0.80 CHRM2 (0.38) MEN1KMT2AMKNK1CYP3A4ALDH1A1
SCHEMBL4520735 0.79 NOTUM (0.41) MEN1KMT2ACYP3A4TDP1ALDH1A1
SCHEMBL4524045 0.79 ADORA1 (0.40) MEN1KMT2APDCD1CD274CYP3A4
SCHEMBL4516325 0.73 VSIR (0.40) PDCD1CD274KDM4ELRRK2
SCHEMBL4424650 0.71 MCHR1 (0.67) PRMT5WDR77MCHR1MEN1KMT2A

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 PRMT5 841/4885WDR77 1021/4885MCHR1 233/4885

“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.