SCHEMBL6173253

SCHEMBL6173253

Nc1nc(-c2ccc(NC(=O)CN(C(=O)c3ccc(F)cc3)c3ccc4c(c3)C(O)CC4)cc2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALOX5 P09917 2/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37
▸ SLC6A9 P48067 5/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ GRM1 Q13255 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6173268 0.86 RAB9A (0.43) RAB9AMEN1KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL6173338 0.84 RAB9A (0.50) RAB9AMEN1KMT2AALDH1A1POLB
SCHEMBL6171738 0.84 KMT2A (0.41) RAB9AMEN1KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL6174507 0.83 KMT2A (0.40) RAB9AMEN1KMT2AALDH1A1POLB
SCHEMBL27601474 0.83 KMT2A (0.41) RAB9AMEN1KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL6172863 0.82 KMT2A (0.39) RAB9AMEN1KMT2AALDH1A1POLB
SCHEMBL27583802 0.82 KMT2A (0.48) RAB9AMEN1KMT2AALDH1A1POLB
SCHEMBL6174454 0.81 MAPT (0.44) RAB9AMEN1KMT2AALDH1A1POLB
SCHEMBL6172214 0.81 MAPT (0.51) RAB9AMEN1KMT2AALDH1A1POLB
SCHEMBL6174882 0.81 POLB (0.49) RAB9AMEN1KMT2AALDH1A1POLB

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 7 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

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 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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