SCHEMBL4651277

SCHEMBL4651277

COC(OC)c1ccnc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
LOX P28300 1/20 0.38
LOXL3 P58215 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
TRPA1 O75762 1/20 0.35
SMARCA2 P51531 3/20 0.33
SMARCA4 P51532 2/20 0.33
PFKFB3 Q16875 1/20 0.33
NFE2L2 Q16236 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
IDO1 P14902 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
S1PR1 P21453 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL30847788 0.82 MALT1 (0.38) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL15877446 0.82 MALT1 (0.38) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL6203415 0.79 NPC1 (0.40) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL27146027 0.78 RECQL (0.38) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL14041762 0.78 UHRF1 (0.46) SMARCA2SMARCA4ROCK2ROCK1CCR1
SCHEMBL2759112 0.77 RECQL (0.42) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL14022347 0.76 NOS3 (0.52) ROCK2ROCK1CCR1CCR5CCR8
SCHEMBL31193096 0.76 IDO1 (0.33) LOXLOXL2IDO1CCR1CCR5
SCHEMBL9519789 0.76 IDO1 (0.33) LOXLOXL2IDO1CCR1CCR5
SCHEMBL14040228 0.76 CCR1 (0.32) CCR1CCR5CCR8NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008119569-A1 SYNTHESIS OF ANTHRANILAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-09 WO disclosed
US-20080242866-A1 SYNTHESIS OF ANTHRANILAMIDES BAYER SCHERING PHARMA AG (DE) 2008-10-02 US disclosed
EP-1975166-A1 Synthesis of anthranilamides Bayer Schering Pharma AG (DE) 2008-10-01 EP disclosed
EP-0282077-B1 Pyridyloxy derivatives FUJIREBIO KK (JP) 1993-11-10 EP disclosed
US-4977267-A ANTISECRETORY AGENT FUJIREBIO KABUSHIKI KAISHA (JP) 1990-12-11 US disclosed
US-4912101-A Containing a secondary amide, suflur group and a furan ring FUJIREBIO KABUSHIKI KAISHA (JP) 1990-03-27 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-20080242866-A1 SYNTHESIS OF ANTHRANILAMIDES ANTXR2, QTRT1, NQO2 RECQL 28/4885LOX 3245/4885LOXL3 3281/4885

“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.