SCHEMBL3738947

SCHEMBL3738947

O=C(NCCBr)NC1CCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.69
HTT P42858 2/20 0.64
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
EPHX1 P07099 1/20 0.51
DHODH Q02127 4/20 0.50
TAS1R3 Q7RTX0 3/20 0.50
TAS1R1 Q7RTX1 3/20 0.50
TAS1R2 Q8TE23 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL3732403 0.92 HTT (0.77) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL3737425 0.86 EPHX2 (0.69) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL3731433 0.86 EPHX2 (0.69) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL4014522 0.86 EPHX2 (0.69) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL4023045 0.86 EPHX2 (0.69) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL24803347 0.86 EPHX2 (0.69) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL4014525 0.86 EPHX2 (0.69) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL30279409 0.85 EPHX2 (0.71) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL24803393 0.85 EPHX2 (0.67) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL23978573 0.85 EPHX2 (0.67) EPHX2HTTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280085-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US claimed
EP-2048951-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2009-04-22 EP claimed
WO-2008017816-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-02-14 WO claimed
US-8178567-B2 Insecticidal substituted amino heterocyclic and heteroaryl derivatives FMC CORPORATION (US) 2012-05-15 US disclosed
US-20100280085-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100137385-A1 Insecticidal Substituted Amino Heterocyclic and Heteroaryl Derivatives BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
EP-2048951-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2009-04-22 EP disclosed
WO-2008017816-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-02-14 WO disclosed
WO-2007093292-A2 INSECTICIDAL SUBSTITUTED AMINO HETEROCYCLIC AND HETEROARYL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-08-23 WO 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 (2 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-20100137385-A1 Insecticidal Substituted Amino Heterocyclic and Heteroaryl Derivatives DDT, AAAS, DDC EPHX2 391/4885HTT 2010/4885ALDH1A1 1398/4885
US-20100280085-A1 CHEMICAL COMPOUNDS ACHE, TYR, COX6B1 EPHX2 585/4885HTT 2263/4885ALDH1A1 131/4885

“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.