SCHEMBL2238684

SCHEMBL2238684

Cc1cccc(C)c1N(CC(=O)Nc1ccc(-c2cocn2)cc1)C(=O)C1CCS(=O)(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HDAC1 Q13547 6/20 0.34
▸ HDAC8 Q9BY41 6/20 0.34
▸ HDAC6 Q9UBN7 6/20 0.34
▸ HDAC5 Q9UQL6 5/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ WNT3A P56704 2/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ CEPT1 Q9Y6K0 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32

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
SCHEMBL2238051 0.91 HDAC1 (0.37) CHRM1L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL2239265 0.87 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC5NPC1
SCHEMBL2236768 0.87 GAA (0.36) CHRM1L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL2240153 0.86 ALDH1A1 (0.39) CHRM1L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL14000191 0.86 SLC6A9 (0.43) —
SCHEMBL2238884 0.86 POLB (0.36) CHRM1L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL13935070 0.85 L3MBTL1 (0.40) L3MBTL1HDAC4
Amenamevir SCHEMBL2238614 0.84 HDAC1 (0.37) L3MBTL1HDAC1HDAC8HDAC6HDAC5
SCHEMBL2236865 0.84 HDAC1 (0.37) CHRM1L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL2234755 0.84 HDAC1 (0.35) CHRM1L3MBTL1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201659-A1 AGENT FOR PREVENTING OR TREATING ZOSTER-ASSOCIATED PAIN ASTELLAS PHARMA INC. (JP) 2011-08-18 — — US claimed
EP-1652843-A1 AMIDE DERIVATIVES Astellas Pharma Inc. (JP) 2006-05-03 — — EP claimed
US-20050032855-A1 Tetrahydro-2H-thiopyran-4-carboxamide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2005-02-10 — — US claimed
US-20110201659-A1 AGENT FOR PREVENTING OR TREATING ZOSTER-ASSOCIATED PAIN ASTELLAS PHARMA INC. (JP) 2011-08-18 — — US disclosed
EP-1857108-B1 PREVENTIVE OR THERAPEUTIC AGENT FOR HERPESVIRUS-RELATED DISEASE ASTELLAS PHARMA INC (JP) 2010-12-08 — — EP disclosed
EP-1844775-B1 THERAPEUTIC AGENT FOR THE TREATMENT OF HERPES PROGENITALIS AFTER DEVELOPMENT OF LESIONS ASTELLAS PHARMA INC (JP) 2010-08-11 — — EP disclosed
EP-1844776-B1 AGENT FOR PREVENTION/TREATMENT OF DISEASE CAUSED BY ACYCLOVIR-RESISTANT HERPESVIRUS ASTELLAS PHARMA INC (JP) 2010-04-28 — — EP 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-20090042915-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR HERPESVIRUS-RELEATED DISEASE ASTELLAS PHARMA INC. (JP) 2009-02-12 — — US disclosed
US-20090030049-A1 MEDICAMENT FOR GENITAL HERPES ASTELLAS PHARMA INC. (JP) 2009-01-29 — — 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
EP-1857108-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR HERPESVIRUS-RELATED DISEASE Astellas Pharma Inc. (JP) 2007-11-21 — — EP disclosed
EP-1844775-A1 THERAPEUTIC AGENT FOR HERPES PROGENITALIS Astellas Pharma Inc. (JP) 2007-10-17 — — EP disclosed
EP-1844776-A1 AGENT FOR PREVENTION/TREATMENT OF DISEASE CAUSED BY ACYCLOVIR-RESISTANT HERPESVIRUS Astellas Pharma Inc. (JP) 2007-10-17 — — EP disclosed
US-20060229295-A1 Amide derivatives ASTELLAS PHARMA INC.AND RATIONAL DRUG DESIGN (JP) 2006-10-12 — — US disclosed
EP-1652843-A1 AMIDE DERIVATIVES Astellas Pharma Inc. (JP) 2006-05-03 — — EP disclosed
US-6903125-B2 Tetrahydro-2H-thiopyran-4-carboxamide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 — — US disclosed
US-20050032855-A1 Tetrahydro-2H-thiopyran-4-carboxamide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2005-02-10 — — 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 (6 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 CHRM1 4379/4885L3MBTL1 206/4885HDAC1 6/4885
US-20050032855-A1 Tetrahydro-2H-thiopyran-4-carboxamide derivative TPMT, RPL35, TYMP CHRM1 3687/4885L3MBTL1 863/4885HDAC1 39/4885
US-20110201659-A1 AGENT FOR PREVENTING OR TREATING ZOSTER-ASSOCIATED PAIN GAP43, TRPV1, ACHE CHRM1 958/4885L3MBTL1 2840/4885HDAC1 1277/4885
US-20060229295-A1 Amide derivatives VAC14, HDAC8, ZC3HAV1 CHRM1 2947/4885L3MBTL1 1170/4885HDAC1 7/4885
US-20090042915-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR HERPESVIRUS-RELEATED DISEASE RECQL, DNA2, DHX35 CHRM1 4783/4885L3MBTL1 1740/4885HDAC1 243/4885
US-20090030049-A1 MEDICAMENT FOR GENITAL HERPES TK1, TYMP, RPL23 CHRM1 4800/4885L3MBTL1 3792/4885HDAC1 261/4885

“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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