SCHEMBL3732403

SCHEMBL3732403

O=C(NCCBr)NC1CCCc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.77
EPHX2 P34913 4/20 0.70
ALDH1A1 P00352 1/20 0.64
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
EPHX1 P07099 1/20 0.62
DHODH Q02127 4/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TAS1R3 Q7RTX0 2/20 0.57
TAS1R1 Q7RTX1 2/20 0.57
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL3738947 0.92 EPHX2 (0.69) HTTEPHX2ALDH1A1KMT2AMEN1
SCHEMBL11747505 0.89 HTT (0.81) HTTEPHX2ALDH1A1KMT2AMEN1
SCHEMBL3735037 0.87 HTT (0.77) HTTEPHX2ALDH1A1KMT2AMEN1
SCHEMBL3730715 0.87 HTT (0.77) HTTEPHX2ALDH1A1KMT2AMEN1
SCHEMBL11745546 0.84 HTT (0.72) HTTEPHX2ALDH1A1KMT2AMEN1
SCHEMBL11748515 0.84 HTT (0.81) HTTEPHX2ALDH1A1KMT2AMEN1
SCHEMBL26930816 0.84 HTT (0.76) HTTEPHX2ALDH1A1KMT2AMEN1
SCHEMBL4018109 0.83 HTT (0.71) HTTEPHX2ALDH1A1KMT2AMEN1
SCHEMBL17117306 0.83 EPHX2 (1.00) HTTEPHX2ALDH1A1KMT2AMEN1
SCHEMBL13585258 0.82 HTT (0.69) HTTEPHX2ALDH1A1KMT2AMEN1

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 8 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

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 HTT 2010/4885EPHX2 391/4885ALDH1A1 1398/4885
US-20100280085-A1 CHEMICAL COMPOUNDS ACHE, TYR, COX6B1 HTT 2263/4885EPHX2 585/4885ALDH1A1 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.