SCHEMBL4084025

SCHEMBL4084025

O=C(Nc1ccc(Cl)cc1)Nc1cc(C(=O)N2CCOCC2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HTT P42858 2/20 0.60
NPC1 O15118 2/20 0.60
LMNA P02545 1/20 0.60
EPHX2 P34913 7/20 0.59
CNR1 P21554 1/20 0.56
PHGDH O43175 1/20 0.54
PIK3CA P42336 1/20 0.53
MTOR P42345 1/20 0.53
PIK3CG P48736 1/20 0.53
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP3A5 P20815 1/20 0.51
AKR1C3 P42330 1/20 0.50
NAMPT P43490 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL4092633 0.86 EPHX2 (0.73) HPGDMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL3937303 0.84 EPHX2 (0.77) HPGDMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL3943499 0.82 EPHX2 (0.80) HPGDMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL4083187 0.78 SMN1; SMN2 (0.58) HPGDMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL12852649 0.76 CCNT1 (0.53) HPGDSMN1; SMN2
SCHEMBL3249195 0.75 PKM (0.63) HPGDSMN1; SMN2ALDH1A1NPC1PHGDH
SCHEMBL3936624 0.74 EPHX2 (1.00) HPGDMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL3945175 0.74 EPHX2 (1.00) HPGDMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL3937371 0.73 EPHX2 (1.00) HPGDMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL27769249 0.73 EPHX2 (0.66) HPGDMAPTSMN1; SMN2ALDH1A1HTT

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-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US claimed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
WO-2009035949-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 WO disclosed
WO-2009035949-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 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-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 HPGD 48/4885MAPT 4780/4885SMN1; SMN2 4619/4885

“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.