SCHEMBL2767526

SCHEMBL2767526

N#Cc1cccc(NC(=S)Nc2noc3cc(F)ccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
IDO1 P14902 2/20 0.49
TAS2R8 Q9NYW2 1/20 0.44
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.39
KIT P10721 1/20 0.38
CDC7 O00311 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.38
CHRNA7 P36544 1/20 0.38
HTR3A P46098 1/20 0.38
POLB P06746 1/20 0.38
GRM4 Q14833 1/20 0.37

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
SCHEMBL5452588 0.75 MAPT (0.90) ALDH1A1MAPTIDO1TAS2R8SMN1; SMN2
SCHEMBL2767531 0.75 TP53 (0.42) TP53SMN1; SMN2KITCHRNA7HTR3A
SCHEMBL2786816 0.75 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2769810 0.74 ABCC9 (0.48) ALDH1A1MAPTIDO1KDM4EMEN1
SCHEMBL2772968 0.73 SMN1; SMN2 (0.41) ALDH1A1TP53SMN1; SMN2KMT2ACHRNA7
SCHEMBL2768955 0.72 MAOB (0.52) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2767332 0.72 GAA (0.47) ALDH1A1MAPTTP53SMN1; SMN2MEN1
SCHEMBL2771187 0.71 SMN1; SMN2 (0.61) ALDH1A1MAPTTP53SMN1; SMN2KDM4E
SCHEMBL2769741 0.71 ALDH1A1 (0.46) ALDH1A1MAPTTP53SMN1; SMN2MEN1
SCHEMBL2768640 0.70 MAPT (0.50) ALDH1A1MAPTIDO1SMN1; SMN2MEN1

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 ALDH1A1 1965/4885MAPT 2492/4885IDO1 1680/4885

“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.