SCHEMBL3499671

SCHEMBL3499671

CCOC(=O)c1cn2cc(-c3ccc(OC(F)(F)F)cc3)ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 5/20 0.58
KDM4E B2RXH2 5/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 2/20 0.50
EGLN1 Q9GZT9 4/20 0.49
GAA P10253 1/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL25114312 0.90 KDM4E (0.59) SCN5AKDM4EPOLBRAB9AGAA
SCHEMBL21033153 0.85 GABRA2 (0.62) KDM4EPOLBRAB9AEGLN1GAA
SCHEMBL4083192 0.84 KDM4E (0.60) KDM4EPOLBRAB9AEGLN1GAA
SCHEMBL3499130 0.83 GABRA2 (0.62) KDM4EPOLBRAB9AEGLN1GAA
SCHEMBL21033466 0.81 KDM4E (0.60) KDM4EPOLBRAB9AEGLN1GAA
SCHEMBL23645412 0.80 KDM4E (0.55) KDM4EPOLBRAB9AGAAGABRA2
SCHEMBL24066036 0.80 KDM4E (0.60) KDM4EPOLBRAB9AEGLN1GAA
SCHEMBL21033565 0.79 KDM4E (0.57) KDM4EPOLBRAB9AEGLN1GAA
SCHEMBL3883777 0.79 KDM4E (0.60) KDM4EPOLBRAB9AGAAGABRA2
SCHEMBL3663279 0.79 KDM4E (0.57) KDM4EPOLBRAB9AEGLN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 SCN5A 2695/4885KDM4E 2059/4885POLB 4658/4885

“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.