SCHEMBL3500708

SCHEMBL3500708

CCOC(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
POLB P06746 1/20 0.67
GABRA2 P47869 13/20 0.57
GABRB2 P47870 13/20 0.57
PTGS2 P35354 1/20 0.49
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALPL P05186 1/20 0.44
TARBP2 Q15633 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
SCHEMBL24066038 0.88 KDM4E (0.67) KDM4EPOLBGABRA2GABRB2GAA
SCHEMBL1647902 0.86 KDM4E (0.76) KDM4EPOLBGABRA2GABRB2GAA
SCHEMBL3499130 0.85 GABRA2 (0.62) KDM4EPOLBGABRA2GABRB2PTGS2
SCHEMBL3499683 0.82 KDM4E (0.59) KDM4EPOLBGABRA2GABRB2PTGS2
SCHEMBL3498830 0.81 PTGS1 (0.51) KDM4EPOLBGABRA2GABRB2PTGS2
SCHEMBL1445451 0.81 KDM4E (1.00) KDM4EPOLBGAAALDH1A1HPGD
SCHEMBL17437886 0.80 KDM4E (0.78) KDM4EPOLBGABRA2GABRB2GAA
SCHEMBL7269185 0.80 KDM4E (0.78) KDM4EPOLBGABRA2GABRB2GAA
SCHEMBL741904 0.79 KDM4E (0.64) KDM4EPOLBGABRA2GABRB2PTGS2
SCHEMBL20887367 0.79 KDM4E (0.72) KDM4EPOLBGABRA2GABRB2GAA

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 KDM4E 2059/4885POLB 4658/4885GABRA2 317/4885

“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.