SCHEMBL1638980

SCHEMBL1638980

CC(O)CCC(=O)c1cc(Cl)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.58
RECQL P46063 1/20 0.45
FADS1 O60427 1/20 0.41
CYP3A4 P08684 2/20 0.41
ABL1 P00519 1/20 0.40
GCK P35557 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2081805 0.81 NOS2 (0.65) NOS2RECQLFADS1CYP3A4ABL1
SCHEMBL10749967 0.78 NOS2 (0.62) NOS2RECQLFADS1ABL1ALDH1A1
SCHEMBL2079618 0.77 NOS2 (0.60) NOS2RECQLFADS1CYP3A4ABL1
SCHEMBL8990156 0.77 NOS2 (0.60) NOS2RECQLFADS1ALDH1A1
SCHEMBL7806549 0.76 NOS2 (0.58) NOS2RECQLFADS1CYP3A4ABL1
SCHEMBL9376771 0.76 NOS2 (0.59) NOS2RECQLFADS1CYP3A4ABL1
SCHEMBL10748798 0.76 NOS2 (0.59) NOS2RECQL
SCHEMBL2450666 0.75 ALDH1A1 (0.61) NOS2RECQLFADS1CYP3A4ABL1
SCHEMBL20556394 0.75 NOS2 (0.73) NOS2RECQLFADS1CYP3A4ABL1
SCHEMBL10964252 0.74 NOS2 (0.60) NOS2RECQLFADS1ABL1GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
WO-2009121033-A2 SUBSTITUTED NITROGEN HETEROCYCLES AND SYNTHESIS AND USES THEREOF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 WO disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US 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-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT NOS2 20/4885RECQL 1260/4885FADS1 2515/4885
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT NOS2 20/4885RECQL 1260/4885FADS1 2515/4885

“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.