SCHEMBL19155133

SCHEMBL19155133

C=C(CCCO)COc1ccnc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.38
▸ LOX P28300 1/20 0.37
▸ PPARD Q03181 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ IDH2 P48735 1/20 0.32
▸ SMARCA2 P51531 1/20 0.32
▸ SMARCA4 P51532 1/20 0.32
▸ VNN1 O95497 1/20 0.31
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30
▸ MGLL Q99685 1/20 0.30
▸ RXRA P19793 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
SCHEMBL13611319 0.82 LOXL2 (0.41) LOXL2LOXPPARDIDO1SMARCA2
SCHEMBL25213572 0.74 PTPN7 (0.46) LOXL2LOXPPARDSMARCA2SMARCA4
SCHEMBL1662471 0.70 LOXL2 (0.49) LOXL2LOXIDO1GRIN1GRIN2B
SCHEMBL27894825 0.69 LOXL2 (0.50) LOXL2LOXIDO1SMARCA2SMARCA4
SCHEMBL25248872 0.69 PSEN1 (0.50) LOXL2LOXSMARCA2SMARCA4MGLL
SCHEMBL10200740 0.67 LOXL2 (0.46) LOXL2LOXIDO1GRIN1GRIN2B
SCHEMBL7229589 0.67 POLB (0.47) —
SCHEMBL22558604 0.67 LOXL2 (0.59) LOXL2LOXIDO1IDH2SMARCA2
SCHEMBL29769124 0.67 LOXL2 (0.43) LOXL2LOXALOX5APFEN1MGLL
SCHEMBL24999942 0.67 LOXL2 (0.43) LOXL2LOXALOX5APFEN1MGLL

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-20170204109-A1 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-20 — — 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-20170204109-A1 Compounds PLAAT2, PLA2G12A, PLA2G1B LOXL2 210/4885LOX 151/4885PPARD 815/4885

“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.

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