SCHEMBL7997764

SCHEMBL7997764

Nc1ccc(Cl)cc1C(=O)C(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
FADS1 O60427 2/20 0.47
NOS2 P35228 2/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
GCK P35557 2/20 0.42
ABL1 P00519 1/20 0.42
TP53 P04637 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL31366631 0.81 RECQL (0.53) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL2081024 0.81 RECQL (0.53) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL9540049 0.78 RECQL (0.79) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL10579443 0.77 TSHR (0.59) RECQLALDH1A1SMN1; SMN2CYP3A4TSHR
SCHEMBL31542015 0.76 ALDH1A1 (0.63) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL220073 0.76 ALDH1A1 (0.63) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL620233 0.76 RECQL (0.59) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL15134168 0.76 RECQL (0.59) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL15503392 0.76 RECQL (0.59) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL10750688 0.76 NOS2 (0.48) RECQLFADS1NOS2ALDH1A1SMN1; SMN2

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 5 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
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

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 RECQL 1260/4885FADS1 2515/4885NOS2 20/4885
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT RECQL 1260/4885FADS1 2515/4885NOS2 20/4885

“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.