SCHEMBL2768541

SCHEMBL2768541

COc1ccc(NC(=S)Nc2noc3ccccc23)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
ALDH1A1 P00352 10/20 0.56
GAA P10253 5/20 0.56
LMNA P02545 5/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX12 P18054 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 2/20 0.48
QPCT Q16769 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAOB P27338 1/20 0.47
ADORA2B P29275 1/20 0.47
PKM P14618 1/20 0.46
KAT6A Q92794 1/20 0.46

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
SCHEMBL2769842 0.88 MAPT (0.59) MAPTALDH1A1GAALMNARAB9A
SCHEMBL2770639 0.85 MAPT (0.50) MAPTALDH1A1GAALMNARAB9A
SCHEMBL2769319 0.79 ALDH1A1 (0.55) MAPTALDH1A1GAALMNARAB9A
SCHEMBL2769004 0.79 PPIA (0.49) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL2768900 0.78 HIF1A (0.67) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL2771187 0.77 SMN1; SMN2 (0.61) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL2768326 0.77 HIF1A (0.60) MAPTALDH1A1GAALMNARAB9A
SCHEMBL2768623 0.76 MAPT (0.59) MAPTALDH1A1GAALMNARAB9A
SCHEMBL2768846 0.76 HIF1A (0.64) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL2768684 0.75 SMN1; SMN2 (0.51) MAPTALDH1A1GAASMN1; 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 MAPT 2492/4885ALDH1A1 1965/4885GAA 3898/4885

“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.