SCHEMBL2769052

SCHEMBL2769052

CCOC(=O)c1ccccc1N(S)C(=O)Nc1noc2cccc(N(C)C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
HTT P42858 1/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
ACR P10323 1/20 0.36
SLC26A6 Q9BXS9 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPK10 P53779 1/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAOB P27338 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
CDC25B P30305 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL2769049 0.83 RAB9A (0.44) TSHRHTTRAB9AALDH1A1LMNA
SCHEMBL2771072 0.81 ALDH1A1 (0.31) TSHRRAB9AALDH1A1LMNASLC26A6
SCHEMBL2768890 0.80 ALDH1A1 (0.34) HTTRAB9AALDH1A1LMNASLC26A6
SCHEMBL2768531 0.79 NLRP3 (0.31) TSHRHTTALDH1A1LMNAAURKB
SCHEMBL2771741 0.78 ALDH1A1 (0.36) TSHRHTTRAB9AALDH1A1LMNA
SCHEMBL2771033 0.77 HIF1A (0.41) RAB9AALDH1A1LMNAKDM4E
SCHEMBL2769685 0.76 LMNA (0.36) RAB9AALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL2769603 0.76 ALDH1A1 (0.55) HTTRAB9AALDH1A1LMNAPOLB
SCHEMBL2767961 0.76 HIF1A (0.38) TSHRRAB9AALDH1A1LMNAGAA
SCHEMBL2770209 0.75 NPC1 (0.38) TSHRHTTRAB9AALDH1A1LMNA

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 TSHR 4442/4885HTT 2333/4885RAB9A 3127/4885

“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.