SCHEMBL6173831

SCHEMBL6173831

COc1ccc(N(CC(=O)Nc2ccc(-c3csc(N)n3)cc2)C(=O)C2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ RAB9A P51151 7/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ SGK1 O00141 1/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ CDC25A P30304 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ CDC25C P30307 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ FAAH O00519 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ MAPK1 P28482 2/20 0.40

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
SCHEMBL13928711 0.90 RAB9A (0.46) L3MBTL1RAB9AALDH1A1NPC1MEN1
Hydrochloric Acid SCHEMBL6172861 0.89 RAB9A (0.44) L3MBTL1RAB9AALDH1A1NPC1MEN1
SCHEMBL6174153 0.84 RAB9A (0.41) L3MBTL1RAB9AALDH1A1NPC1MEN1
Hydrochloric Acid SCHEMBL6173977 0.78 KMT2A (0.54) L3MBTL1RAB9AALDH1A1NPC1MEN1
Hydrochloric Acid SCHEMBL6174678 0.78 KMT2A (0.48) L3MBTL1RAB9AALDH1A1NPC1MEN1
Hydrochloric Acid SCHEMBL6171897 0.78 KMT2A (0.48) L3MBTL1RAB9AALDH1A1NPC1MEN1
Hydrochloric Acid SCHEMBL6177018 0.78 RAB9A (0.50) L3MBTL1RAB9AALDH1A1NPC1MEN1
SCHEMBL6172818 0.77 KMT2A (0.48) L3MBTL1RAB9AALDH1A1NPC1MEN1
SCHEMBL6172087 0.77 KMT2A (0.47) L3MBTL1RAB9AALDH1A1NPC1MEN1
SCHEMBL6173123 0.73 RAB9A (0.61) L3MBTL1RAB9AALDH1A1NPC1MEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949543-B2 Amide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-27 — — US claimed
EP-1340750-B1 AMIDE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 — — EP claimed
US-20040034232-A1 Amide derivative ASTELLAS PHARMA INC. (JP) 2004-02-19 — — US claimed
EP-1340750-A1 AMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-03 — — EP claimed
US-20090048310-A1 AGENT FOR PREVENTION/TREATMENT OF DISEASE CAUSED BY ACYCLOVIR-RESISTANT HERPESVIRUS ASTELLAS PHARMA INC. (JP) 2009-02-19 — — US disclosed
US-20090048310-A1 AGENT FOR PREVENTION/TREATMENT OF DISEASE CAUSED BY ACYCLOVIR-RESISTANT HERPESVIRUS ASTELLAS PHARMA INC. (JP) 2009-02-19 — — US disclosed
US-7465748-B2 Antiherpesvirus drugs; great pharmacokinetics, good antivirus activity when administered orally at a low dose, high safety profile, less mutagenic concerns; N-(2,6-dimethylphenyl)-N-(2-{[4-(1,3-oxazol-4-yl)phenyl]amino)-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide ASTELLAS PHARMA INC. (JP) 2008-12-16 — — US disclosed
US-7465748-B2 Antiherpesvirus drugs; great pharmacokinetics, good antivirus activity when administered orally at a low dose, high safety profile, less mutagenic concerns; N-(2,6-dimethylphenyl)-N-(2-{[4-(1,3-oxazol-4-yl)phenyl]amino)-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide ASTELLAS PHARMA INC. (JP) 2008-12-16 — — US disclosed
US-6949543-B2 Amide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-27 — — US disclosed
EP-1340750-B1 AMIDE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 — — EP disclosed
US-20040034232-A1 Amide derivative ASTELLAS PHARMA INC. (JP) 2004-02-19 — — US disclosed
EP-1340750-A1 AMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-03 — — EP 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 (2 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-20090048310-A1 AGENT FOR PREVENTION/TREATMENT OF DISEASE CAUSED BY ACYCLOVIR-RESISTANT HERPESVIRUS ZC3HAV1, ZC3HAV1L, GRIK2 L3MBTL1 206/4885RAB9A 1654/4885ALDH1A1 4318/4885
US-20040034232-A1 Amide derivative HDAC2, ZC3HAV1, HDAC4 L3MBTL1 1744/4885RAB9A 1475/4885ALDH1A1 3774/4885

“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.

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