SCHEMBL3038470

SCHEMBL3038470

O=C(OC(Cc1c(Cl)cccc1Cl)NCc1ccc(-c2ccc3[nH]cnc3c2)cc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 3/20 0.35
POLB P06746 1/20 0.34
ALDH2 P05091 3/20 0.34
CASP6 P55212 1/20 0.33
PRKD1 Q15139 2/20 0.33
TEK Q02763 5/20 0.33
KDR P35968 3/20 0.32
MMEL1 Q495T6 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOD1 Q9Y239 1/20 0.31

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
SCHEMBL3049024 0.86 LMNA (0.41) EPHB4POLBTEKKDRL3MBTL1
SCHEMBL3051555 0.86 QPCT (0.38) POLBPRKD1
SCHEMBL3034900 0.85 TEK (0.43) EPHB4TEKKDRROCK2NOD1
SCHEMBL3051311 0.85 QPCT (0.37) POLBPRKD1
SCHEMBL3047194 0.83 HTT (0.35) EPHB4POLBPRKD1TEK
SCHEMBL3037465 0.83 POLB (0.33) EPHB4POLBPRKD1TEKL3MBTL1
SCHEMBL3041969 0.82 QPCT (0.37)
SCHEMBL3044920 0.78 MTOR (0.36)
Trifluoroacetic Acid SCHEMBL3038466 0.77 EPHB4 (0.39) EPHB4CASP6
SCHEMBL3823826 0.76 MAOB (0.39)

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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 EPHB4 950/4885POLB 4000/4885ALDH2 3983/4885

“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.