SCHEMBL6174368

SCHEMBL6174368

Nc1nc(-c2ccc(NC(=O)CN(C(=O)c3ccc(F)cc3)c3ccc4scnc4c3)cc2)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALOX5 P09917 2/20 0.39
▸ IKBKB O14920 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ GRM1 Q13255 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SLC6A9 P48067 2/20 0.36
▸ FZD7 O75084 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36

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
SCHEMBL6174481 0.93 RAB9A (0.48) KMT2ARAB9AMEN1ALDH1A1POLB
SCHEMBL6174454 0.89 MAPT (0.44) KMT2ARAB9AMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL6173338 0.87 RAB9A (0.50) KMT2ARAB9AMEN1ALDH1A1POLB
SCHEMBL27583802 0.84 KMT2A (0.48) KMT2ARAB9AMEN1ALDH1A1POLB
SCHEMBL27601320 0.83 MEN1 (0.48) KMT2ARAB9AMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL6174792 0.83 MEN1 (0.48) KMT2ARAB9AMEN1ALDH1A1POLB
SCHEMBL14000171 0.83 NPC1 (0.43) KMT2ARAB9AMEN1POLBMAPT
SCHEMBL6173268 0.83 RAB9A (0.43) KMT2ARAB9AMEN1ALDH1A1POLB
SCHEMBL6171748 0.82 RAB9A (0.43) KMT2ARAB9AMEN1ALDH1A1POLB
SCHEMBL6172214 0.82 MAPT (0.51) KMT2ARAB9AMEN1ALDH1A1POLB

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 8 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-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 (1 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-20040034232-A1 Amide derivative HDAC2, ZC3HAV1, HDAC4 KMT2A 111/4885RAB9A 1475/4885MEN1 4073/4885

“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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