SCHEMBL3966450

SCHEMBL3966450

O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1S(=O)(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.71
CDK19 Q9BWU1 1/20 0.71
GRIK1 P39086 4/20 0.69
GRIK2 Q13002 1/20 0.69
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
PTGES O14684 1/20 0.66
ALOX5 P09917 1/20 0.66
KDR P35968 1/20 0.61
IDH1 O75874 4/20 0.60
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
IDH2 P48735 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
CNR2 P34972 1/20 0.55
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL1462338 0.90 NTRK1 (0.73) NTRK1CDK19GRIK1GRIK2MEN1
SCHEMBL8432788 0.86 PTGES (0.74) NTRK1CDK19GRIK1GRIK2MEN1
SCHEMBL6431220 0.85 KDR (0.67) NTRK1CDK19GRIK1MEN1KMT2A
SCHEMBL5597796 0.84 NTRK1 (0.79) NTRK1CDK19GRIK1MEN1KMT2A
SCHEMBL14459434 0.84 KMT2A (0.74) NTRK1CDK19GRIK1MEN1KMT2A
SCHEMBL4218069 0.83 KDR (0.61) NTRK1CDK19GRIK1MEN1KMT2A
SCHEMBL29763181 0.83 NTRK1 (1.00) NTRK1CDK19GRIK1MEN1KMT2A
SCHEMBL1463468 0.83 NTRK1 (1.00) NTRK1CDK19GRIK1MEN1KMT2A
SCHEMBL4175803 0.82 GRIK1 (1.00) GRIK1GRIK2MEN1KMT2AIDH1
SCHEMBL1463283 0.82 NTRK1 (0.76) NTRK1CDK19GRIK1MEN1KMT2A

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-7521480-B2 Aryl ureido benzoic acid derivatives and their use NEUROSEARCH (DK) 2009-04-21 US claimed
US-20060069255-A1 Novel aryl ureido benzoic acid derivatives and their use NEUROSEARCH (DK) 2006-03-30 US claimed
EP-1565429-A2 ARYL UREIDO DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2005-08-24 EP claimed
WO-2004046090-A2 ARYL UREIDO DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2004-06-03 WO claimed
US-7521480-B2 Aryl ureido benzoic acid derivatives and their use NEUROSEARCH (DK) 2009-04-21 US disclosed
US-20060069255-A1 Novel aryl ureido benzoic acid derivatives and their use NEUROSEARCH (DK) 2006-03-30 US disclosed
EP-1565429-A2 ARYL UREIDO DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2005-08-24 EP disclosed
WO-2004046090-A2 ARYL UREIDO DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2004-06-03 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-20060069255-A1 Novel aryl ureido benzoic acid derivatives and their use GABRA5, GRIK5, GRM5 NTRK1 727/4885CDK19 3729/4885GRIK1 24/4885

“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.