SCHEMBL2770004

SCHEMBL2770004

CC(NC(=S)Nc1noc2ccccc12)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.40
MAOA P21397 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACACB O00763 1/20 0.39
NPC1 O15118 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
SCHEMBL2768746 0.82 TP53 (0.48) TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL2771187 0.80 SMN1; SMN2 (0.61) TP53SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2768824 0.77 SMN1; SMN2 (0.57) TP53SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2768684 0.75 SMN1; SMN2 (0.51) TP53SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2786061 0.74 TP53 (0.58) TP53SMN1; SMN2KMT2AMAPTKDM4E
SCHEMBL2769368 0.74 POLB (0.49) TP53SMN1; SMN2MAPTKDM4E
SCHEMBL2768861 0.74 KCNA5 (0.48) KMT2AMEN1MAPTALDH1A1
SCHEMBL2768602 0.73 TP53 (0.53) TP53SMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL2771584 0.73 HTT (0.45) TP53SMN1; SMN2KMT2AMEN1ATM
SCHEMBL2769868 0.72 SMN1; SMN2 (0.46) TP53SMN1; SMN2MAPTKDM4EALDH1A1

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 1349/4885KMT2A 197/4885

“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.