SCHEMBL2767531

SCHEMBL2767531

N#Cc1cccc(N(S)C(=O)Nc2noc3cc(F)ccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.36
KIT P10721 1/20 0.35
VNN1 O95497 2/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
P4HB P07237 1/20 0.32

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
SCHEMBL2772972 0.76 SMN1; SMN2 (0.44) TP53SMN1; SMN2CHRNA7HTR3AHTR2A
SCHEMBL2767526 0.75 ALDH1A1 (0.53) TP53SMN1; SMN2CHRNA7HTR3AKIT
SCHEMBL2767333 0.74 TP53 (0.42) TP53SMN1; SMN2CHRNA7HTR3A
SCHEMBL2768557 0.71 TP53 (0.39) TP53SMN1; SMN2CHRNA7HTR3A
SCHEMBL2769551 0.70 TP53 (0.52) TP53SMN1; SMN2
SCHEMBL17202658 0.69 ALDH1A1 (0.42) TP53SMN1; SMN2KIT
SCHEMBL2768904 0.68 HIF1A (0.53) TP53SMN1; SMN2
SCHEMBL2786816 0.68 ALDH1A1 (0.46) SMN1; SMN2
SCHEMBL2441536 0.66 TP53 (0.64) TP53SMN1; SMN2CHRNA7HTR3A
SCHEMBL2440614 0.64 TP53 (0.52) TP53SMN1; SMN2CHRNA7HTR3AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US claimed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 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 (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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 TP53 4784/4885SMN1; SMN2 1349/4885CHRNA7 204/4885

“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.