SCHEMBL4293307

SCHEMBL4293307

[CH](CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 4/20 0.47
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
CNR2 P34972 1/20 0.41
AOC3 Q16853 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TRPA1 O75762 1/20 0.37
CYP2A6 P11509 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL9016986 0.79 TK1 (0.49) G6PC1ALDH1A1TSHRCNR2AOC3
SCHEMBL8421536 0.79 TK1 (0.49) G6PC1ALDH1A1TSHRCNR2AOC3
SCHEMBL1931710 0.79 MEN1 (0.54) G6PC1TSHRTRPM8KDM4EOPRK1
SCHEMBL1931712 0.79 MEN1 (0.54) G6PC1TSHRTRPM8KDM4EOPRK1
SCHEMBL9687347 0.79 ALDH1A1 (0.50) ALDH1A1TSHRAOC3KDM4E
SCHEMBL1650495 0.76 CA2 (0.47) ALDH1A1TSHRCNR2AOC3KDM4E
SCHEMBL516674 0.76 BCHE (0.49) ALDH1A1TSHRCNR2AOC3KDM4E
SCHEMBL134524 0.75 TSHR (0.60) ALDH1A1TSHRCNR2AOC3KDM4E
SCHEMBL7076295 0.75 MEN1 (0.54) G6PC1TSHRTRPM8KDM4EOPRK1
SCHEMBL8989760 0.75 MEN1 (0.54) G6PC1TSHRTRPM8KDM4EOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US 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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives CFTR, PKD1, PKD2 G6PC1 1554/4885ALDH1A1 2483/4885TSHR 984/4885

“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.