SCHEMBL4289402

SCHEMBL4289402

Oc1c(Br)cc(-c2cnc(COc3ccc4c(c3)C=CC4c3ccc4c(c3)CCC4)nn2)cc1Br

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
GFER P55789 1/20 0.30
PAX8 Q06710 1/20 0.30
KLF5 Q13887 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3240285 0.84 RXRB (0.43) RXRARXRBRXRGNPC1POLB
SCHEMBL4289397 0.78
SCHEMBL3244165 0.71 KDM4E (0.37)
SCHEMBL3247216 0.71 PTPN1 (0.38) RXRARXRBMRGPRX4
SCHEMBL3240684 0.68 CRHBP (0.45) NPC1RAB9AL3MBTL1
SCHEMBL8006778 0.68 MAOB (0.46) RAB9AL3MBTL1
SCHEMBL8048966 0.67 ALDH1A1 (0.41) NPC1RAB9A
SCHEMBL13667188 0.66 MAPT (0.35)
SCHEMBL3240014 0.65 RXRG (0.43) RXRARXRBRXRG
SCHEMBL3232605 0.65 ALDH1A1 (0.34)

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 RXRA 2339/4885RXRB 2024/4885RXRG 1956/4885

“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.