SCHEMBL1789096

SCHEMBL1789096

O=C(NCCCl)NCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.71
EPHX2 P34913 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.61
TP53 P04637 1/20 0.54
LMNA P02545 1/20 0.54
PTPN1 P18031 1/20 0.54
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PPID Q08752 1/20 0.51
P2RX7 Q99572 1/20 0.51
CFD P00746 1/20 0.50
PADI1 Q9ULC6 1/20 0.50
PADI3 Q9ULW8 1/20 0.50
GAA P10253 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49

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
SCHEMBL714625 0.86 EPHX1 (0.77) EPHX1EPHX2SMN1; SMN2TP53LMNA
SCHEMBL27771414 0.85 EPHX1 (0.71) EPHX1EPHX2SMN1; SMN2TP53MEN1
SCHEMBL6435482 0.85 EPHX2 (0.83) EPHX1EPHX2SMN1; SMN2TP53LMNA
SCHEMBL6436792 0.83 EPHX2 (0.80) EPHX1EPHX2SMN1; SMN2TP53LMNA
SCHEMBL3418508 0.83 EPHX1 (1.00) EPHX1EPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL7916928 0.83 EPHX1 (0.73) EPHX1EPHX2SMN1; SMN2TP53LMNA
SCHEMBL6436358 0.83 EPHX2 (0.80) EPHX1EPHX2SMN1; SMN2TP53LMNA
SCHEMBL6438376 0.83 EPHX2 (0.80) EPHX1EPHX2SMN1; SMN2TP53LMNA
SCHEMBL27673646 0.82 MEN1 (0.50) EPHX1EPHX2SMN1; SMN2LMNAPTPN1
SCHEMBL11704793 0.82 NAMPT (0.56) EPHX1SMN1; SMN2MEN1KMT2AP2RX7

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
US-20110124647-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
CN-101652070-A insecticidal derivatives of substituted benzylamines BAYER CROPSCIENCE AG DE 2010-02-17 CN disclosed
EP-2144505-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES Bayer CropScience AG (DE) 2010-01-20 EP disclosed
WO-2008119506-A2 INSECTICIDAL DERIVATIVES OF SUBSTITUTED PHENYLALKYLAMINES BAYER CROPSCIENCE AG (DE) 2008-10-09 WO disclosed
WO-2008119511-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BAYER CROPSCIENCE AG (DE) 2008-10-09 WO disclosed
EP-1977644-A1 Insecticidal derivatives of substituted benzylamines Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP 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-20110124647-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BCHE, PNMT, TMBIM6 EPHX1 1236/4885EPHX2 1091/4885SMN1; SMN2 1073/4885

“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.