SCHEMBL2238014

SCHEMBL2238014

O=C(CN(C(=O)C1CCS(=O)(=O)CC1)c1ccc2c(c1)CCC2)Nc1ccc(-c2cocn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HDAC1 Q13547 5/20 0.34
▸ HDAC8 Q9BY41 5/20 0.34
▸ HDAC6 Q9UBN7 5/20 0.34
▸ HDAC5 Q9UQL6 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2240153 0.87 ALDH1A1 (0.39) ALDH1A1RAB9ASMN1; SMN2NPC1CYP3A4
SCHEMBL2236768 0.86 GAA (0.36) ALDH1A1RAB9ANPC1HPGDHDAC1
SCHEMBL2236097 0.85 HDAC1 (0.37) ALDH1A1RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL2236865 0.85 HDAC1 (0.37) ALDH1A1RAB9AHDAC1HDAC8HDAC6
SCHEMBL2239265 0.85 HDAC1 (0.39) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL6174153 0.83 RAB9A (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL2236534 0.83 HDAC1 (0.38) ALDH1A1HDAC1HDAC8HDAC6HDAC5
SCHEMBL2238051 0.80 HDAC1 (0.37) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL2238684 0.80 CHRM1 (0.36) ALDH1A1RAB9ANPC1HDAC1HDAC8
SCHEMBL13935070 0.80 L3MBTL1 (0.40) MEN1KMT2AL3MBTL1

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 19 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-6903125-B2 Tetrahydro-2H-thiopyran-4-carboxamide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 — — US 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-2351565-A1 MEDICINE FOR PREVENTING OR TREATING PAIN RELATED TO HERPES ZOSTER Astellas Pharma Inc. (JP) 2011-08-03 — — EP 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-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 ALDH1A1 4318/4885RAB9A 1654/4885SMN1; SMN2 2486/4885
US-20050032855-A1 Tetrahydro-2H-thiopyran-4-carboxamide derivative TPMT, RPL35, TYMP ALDH1A1 4075/4885RAB9A 1379/4885SMN1; SMN2 3458/4885
US-20110201659-A1 AGENT FOR PREVENTING OR TREATING ZOSTER-ASSOCIATED PAIN GAP43, TRPV1, ACHE ALDH1A1 4029/4885RAB9A 1297/4885SMN1; SMN2 652/4885
US-20060229295-A1 Amide derivatives VAC14, HDAC8, ZC3HAV1 ALDH1A1 4359/4885RAB9A 741/4885SMN1; SMN2 3059/4885
US-20090042915-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR HERPESVIRUS-RELEATED DISEASE RECQL, DNA2, DHX35 ALDH1A1 2531/4885RAB9A 1254/4885SMN1; SMN2 2055/4885
US-20090030049-A1 MEDICAMENT FOR GENITAL HERPES TK1, TYMP, RPL23 ALDH1A1 3269/4885RAB9A 4479/4885SMN1; SMN2 4876/4885

“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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