SCHEMBL2772972

SCHEMBL2772972

CC(C)c1cccc(C(C)C)c1N(S)C(=O)Nc1noc2cc(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 3/20 0.44
HTR2A P28223 10/20 0.38
HTR7 P34969 9/20 0.38
DRD2 P14416 7/20 0.38
CHRNA7 P36544 1/20 0.38
HTR3A P46098 1/20 0.38
RECQL P46063 1/20 0.37
KCNH2 Q12809 8/20 0.36

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
SCHEMBL2767333 0.82 TP53 (0.42) SMN1; SMN2TP53CHRNA7HTR3A
SCHEMBL2772968 0.77 SMN1; SMN2 (0.41) SMN1; SMN2TP53CHRNA7HTR3ARECQL
SCHEMBL2767531 0.76 TP53 (0.42) SMN1; SMN2TP53HTR2AHTR7CHRNA7
SCHEMBL2787494 0.72 TP53 (0.40) SMN1; SMN2TP53
SCHEMBL2440386 0.71 SMN1; SMN2 (0.44) SMN1; SMN2TP53HTR2AHTR7DRD2
SCHEMBL2786903 0.69 EPHX2 (0.39) SMN1; SMN2RECQL
SCHEMBL2441536 0.68 TP53 (0.64) SMN1; SMN2TP53CHRNA7HTR3A
SCHEMBL2769745 0.67 RAB9A (0.43) SMN1; SMN2RECQL
SCHEMBL2440614 0.66 TP53 (0.52) SMN1; SMN2TP53HTR2AHTR7DRD2
SCHEMBL11422384 0.66 LMNA (0.37) SMN1; 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 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 SMN1; SMN2 1349/4885TP53 4784/4885HTR2A 483/4885

“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.