SCHEMBL2769685

SCHEMBL2769685

CN(C)c1cccc2onc(NC(=O)N(S)Cc3ccccc3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
AURKB Q96GD4 3/20 0.35
AURKA O14965 1/20 0.35
KCNA5 P22460 2/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FAAH O00519 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ABCC1 P33527 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL2773297 0.84 TP53 (0.41) ALDH1A1AURKBAURKATP53NPSR1
Cyclohexane SCHEMBL2440381 0.79 KDM4E (0.39) LMNAKDM4EALDH1A1MAPTAURKB
SCHEMBL2768890 0.79 ALDH1A1 (0.34) LMNAALDH1A1MAPTAURKBRAB9A
SCHEMBL2770498 0.77 KMT2A (0.43) LMNAKDM4EALDH1A1MAPTAURKB
SCHEMBL2769052 0.76 TSHR (0.39) LMNAKDM4EALDH1A1AURKBRAB9A
SCHEMBL2771731 0.76 HIF1A (0.36) LMNAKDM4EALDH1A1MAPTAURKB
SCHEMBL2769680 0.76 MAOB (0.44) LMNAKDM4EALDH1A1MAPTRAB9A
SCHEMBL2767961 0.75 HIF1A (0.38) LMNAKDM4EALDH1A1MAPTAURKB
SCHEMBL2440897 0.75 POLB (0.41) LMNAKDM4EALDH1A1MAPTKMT2A
SCHEMBL2770314 0.75 KCNA5 (0.42) LMNAKDM4EALDH1A1MAPTKCNA5

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 LMNA 1716/4885KDM4E 276/4885ALDH1A1 1965/4885

“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.