SCHEMBL2770276

SCHEMBL2770276

FC(F)(F)c1cccc(NC(=S)Nc2noc3ccccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
ALDH1A1 P00352 8/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
GAA P10253 5/20 0.56
NPSR1 Q6W5P4 4/20 0.56
KDM4E B2RXH2 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 4/20 0.53
HPGD P15428 3/20 0.53
IDO1 P14902 1/20 0.53
EPHX2 P34913 1/20 0.53
HTT P42858 3/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL2770657 0.86 EPHX2 (0.67) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30667338 0.82 EPHX2 (0.72) EPHX2HTT
SCHEMBL29118455 0.82 EPHX2 (0.72) EPHX2HTT
SCHEMBL2769319 0.82 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7175227 0.79 MAPT (0.86) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2767958 0.79 RAB9A (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL22567938 0.77 MAPT (0.78) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2771187 0.77 SMN1; SMN2 (0.61) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2770755 0.77 EPHX2 (0.67) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL2768900 0.76 HIF1A (0.67) MAPTALDH1A1MEN1KMT2ASMN1; 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 MAPT 2492/4885ALDH1A1 1965/4885MEN1 3801/4885

“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.