SCHEMBL2768768

SCHEMBL2768768

CCCNC(=S)Nc1noc2c(F)cccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 1/20 0.43
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ALOX12 P18054 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SSTR4 P31391 1/20 0.36
NPC1 O15118 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
RAB9A P51151 1/20 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
SCHEMBL2770294 0.92 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ALMNAHTTGAA
SCHEMBL2769971 0.91 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ALMNAHTTGAA
SCHEMBL2769899 0.91 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ALMNAHTTGAA
SCHEMBL2769700 0.91 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ALMNAHTTGAA
SCHEMBL2770774 0.90 ALDH1A1 (0.50) SMN1; SMN2KMT2ALMNAGAAMAPT
SCHEMBL2767478 0.84 KMT2A (0.53) SMN1; SMN2KMT2ALMNAGAAMAPT
SCHEMBL2770286 0.83 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ALMNAGAAMAPT
SCHEMBL2768680 0.81 MEN1 (0.48) SMN1; SMN2KMT2ALMNAGAAMAPT
SCHEMBL2767445 0.80 KDM4E (0.56) SMN1; SMN2KMT2ALMNAHTTGAA
SCHEMBL2770582 0.79 KMT2A (0.51) SMN1; SMN2KMT2ALMNAHTTGAA

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 1349/4885KMT2A 197/4885LMNA 1716/4885

“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.