SCHEMBL2772968

SCHEMBL2772968

CC(C)c1cccc(C(C)C)c1NC(=S)Nc1noc2cc(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 3/20 0.41
CHRNA7 P36544 1/20 0.37
HTR3A P46098 1/20 0.37
LMNA P02545 2/20 0.35
SOAT1 P35610 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL2767332 0.80 GAA (0.47) SMN1; SMN2TP53CHRNA7HTR3ALMNA
SCHEMBL2772972 0.77 SMN1; SMN2 (0.44) SMN1; SMN2TP53CHRNA7HTR3ARECQL
SCHEMBL2769741 0.75 ALDH1A1 (0.46) SMN1; SMN2TP53ALDH1A1CACNA1BAPBA1
SCHEMBL2786903 0.74 EPHX2 (0.39) SMN1; SMN2LMNARECQLKMT2AEPHX2
SCHEMBL2767526 0.73 ALDH1A1 (0.53) SMN1; SMN2TP53CHRNA7HTR3AALDH1A1
SCHEMBL2769368 0.72 POLB (0.49) SMN1; SMN2TP53EPHX2
SCHEMBL9509926 0.72 SOAT1 (0.56) SMN1; SMN2LMNASOAT1KMT2A
SCHEMBL2770004 0.70 TP53 (0.54) SMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL2768955 0.69 MAOB (0.52) SMN1; SMN2CHRNA7HTR3ALMNAALDH1A1
SCHEMBL2440386 0.69 SMN1; SMN2 (0.44) SMN1; SMN2TP53CHRNA7HTR3A

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 4784/4885CHRNA7 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.