SCHEMBL6174153

SCHEMBL6174153

Nc1nc(-c2ccc(NC(=O)CN(C(=O)C3CCS(=O)(=O)CC3)c3ccc4c(c3)CCC4)cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 6/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GCGR P47871 5/20 0.34
▸ GIPR P48546 4/20 0.34
▸ LCK P06239 1/20 0.34

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
SCHEMBL6173831 0.84 L3MBTL1 (0.47) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL2238014 0.83 ALDH1A1 (0.36) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL2236097 0.80 HDAC1 (0.37) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL6173268 0.80 RAB9A (0.43) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL6186904 0.76 IKBKB (0.41) RAB9AMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL6172861 0.74 RAB9A (0.44) RAB9AMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL6183928 0.74 IKBKB (0.41) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL13928711 0.74 RAB9A (0.46) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL6173937 0.73 RAB9A (0.40) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL6172852 0.72 RAB9A (0.39) RAB9AMEN1KMT2AALDH1A1MAPT

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 11 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-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 1654/4885MEN1 2090/4885KMT2A 129/4885
US-20040034232-A1 Amide derivative HDAC2, ZC3HAV1, HDAC4 RAB9A 1475/4885MEN1 4073/4885KMT2A 111/4885

“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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