SCHEMBL6174481

SCHEMBL6174481

Nc1nc(-c2ccc(NC(=O)CN(C(=O)c3ccc(F)cc3)c3ccc4ncsc4c3)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.48
▸ NPC1 O15118 8/20 0.48
▸ IKBKB O14920 1/20 0.43
▸ CHUK O15111 1/20 0.43
▸ MEN1 O00255 7/20 0.42
▸ KMT2A Q03164 7/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NTRK1 P04629 4/20 0.40
▸ NTRK2 Q16620 4/20 0.40
▸ ALOX5 P09917 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GRM1 Q13255 2/20 0.38
▸ PDE10A Q9Y233 1/20 0.37

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
SCHEMBL6174368 0.93 KMT2A (0.42) RAB9ANPC1IKBKBCHUKMEN1
Hydrochloric Acid SCHEMBL6173338 0.87 RAB9A (0.50) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL6174454 0.85 MAPT (0.44) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL27583802 0.84 KMT2A (0.48) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL27601320 0.83 MEN1 (0.48) RAB9ANPC1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6174792 0.83 MEN1 (0.48) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL6173268 0.83 RAB9A (0.43) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL6173143 0.83 KMT2A (0.44) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL6171748 0.82 RAB9A (0.43) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL6174882 0.82 POLB (0.49) RAB9ANPC1MEN1KMT2AALDH1A1

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-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
EP-1844776-A1 AGENT FOR PREVENTION/TREATMENT OF DISEASE CAUSED BY ACYCLOVIR-RESISTANT HERPESVIRUS Astellas Pharma Inc. (JP) 2007-10-17 — — EP 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 RAB9A 1654/4885NPC1 2398/4885IKBKB 1644/4885
US-20040034232-A1 Amide derivative HDAC2, ZC3HAV1, HDAC4 RAB9A 1475/4885NPC1 3690/4885IKBKB 1647/4885

“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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