SCHEMBL3735803

SCHEMBL3735803

O=C(NCCCl)NC1CCSc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
ALPL P05186 1/20 0.52
ALPI P09923 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 2/20 0.47
USP2 O75604 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
SCHEMBL7499733 0.83 ALDH1A1 (0.62) NPC1ALPLALPIKMT2AMEN1
SCHEMBL3731433 0.81 EPHX2 (0.69) KMT2AMEN1HTTEPHX2
SCHEMBL3735037 0.79 HTT (0.77) KMT2AMEN1HTTEPHX2
SCHEMBL7504253 0.76 POLB (0.64) NPC1ALPLALPIKMT2AMEN1
SCHEMBL14277889 0.76 POLB (0.64) NPC1ALPLALPIKMT2AMEN1
SCHEMBL12437187 0.73 HTT (0.45) NPC1HTTEPHX2
SCHEMBL14521552 0.72 KMT2A (0.60) NPC1KMT2AMEN1POLBTDP1
SCHEMBL6369376 0.72 EPHX2 (0.46) KMT2AHTTEPHX2
SCHEMBL13984230 0.72 TRPV1 (0.51) HTTEPHX2
SCHEMBL3733661 0.71 HTT (0.44) NPC1HTTEPHX2

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-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-20100280085-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 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 (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-20100280085-A1 CHEMICAL COMPOUNDS ACHE, TYR, COX6B1 NPC1 245/4885ALPL 4160/4885ALPI 2911/4885

“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.