SCHEMBL3049024

SCHEMBL3049024

O=C(OC(Cc1ccc(Cl)cc1Cl)NCc1ccc(-c2ccc3[nH]cnc3c2)cc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.37
QPCT Q16769 2/20 0.36
KDR P35968 2/20 0.33
TEK Q02763 2/20 0.33
EPHB4 P54760 2/20 0.33
EPHX2 P34913 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
WDR5 P61964 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PSMD14 O00487 1/20 0.32
ACP1 P24666 1/20 0.32
ERCC1 P07992 2/20 0.32
ERCC4 Q92889 2/20 0.32
HDAC8 Q9BY41 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
SCHEMBL3038470 0.86 EPHB4 (0.35) POLBKDRTEKEPHB4L3MBTL1
SCHEMBL3051555 0.84 QPCT (0.38) POLBQPCT
SCHEMBL3051311 0.84 QPCT (0.37) POLBQPCTWDR5KMT2A
SCHEMBL3047194 0.82 HTT (0.35) POLBQPCTTEKEPHB4KMT2A
SCHEMBL3037465 0.82 POLB (0.33) POLBQPCTTEKEPHB4L3MBTL1
SCHEMBL3034900 0.81 TEK (0.43) LMNAKDRTEKEPHB4
SCHEMBL3041969 0.79 QPCT (0.37) QPCT
Trifluoroacetic Acid SCHEMBL3049022 0.78 TAAR1 (0.52) LMNAPOLBQPCTL3MBTL1KMT2A
SCHEMBL3044920 0.77 MTOR (0.36)
SCHEMBL3823826 0.72 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 LMNA 4551/4885POLB 4000/4885QPCT 1796/4885

“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.