SCHEMBL6173235

SCHEMBL6173235

COc1ccc(NCC(=O)Nc2ccc(-c3csc(NC(=O)OC(C)(C)C)n3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MAPT P10636 5/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ MGLL Q99685 1/20 0.52
▸ GSTO1 P78417 1/20 0.52
▸ ROCK1 Q13464 1/20 0.51
▸ APP P05067 1/20 0.51
▸ PTGS2 P35354 1/20 0.50
▸ ACHE P22303 1/20 0.50
▸ CSNK2A1 P68400 1/20 0.50
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49

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
SCHEMBL6173231 0.84 RAB9A (0.52) SMN1; SMN2RAB9ALMNAMAPTMEN1
SCHEMBL7473414 0.83 HDAC3 (0.52) SMN1; SMN2RAB9ALMNAMAPTMEN1
SCHEMBL6173123 0.81 RAB9A (0.61) SMN1; SMN2RAB9ALMNAMAPTMEN1
SCHEMBL6174633 0.80 KMT2A (0.49) SMN1; SMN2RAB9ALMNAMAPTMEN1
SCHEMBL18456556 0.78 ADORA3 (0.67) SMN1; SMN2RAB9ALMNAMAPTMEN1
SCHEMBL8321552 0.78 MAPT (0.66) SMN1; SMN2RAB9ALMNAMAPTMEN1
SCHEMBL6170487 0.77 LMNA (0.61) SMN1; SMN2RAB9ALMNAMAPTMEN1
SCHEMBL18618793 0.76 HDAC3 (0.56) SMN1; SMN2RAB9ALMNAMAPTMEN1
SCHEMBL17548274 0.76 KMT2A (0.55) SMN1; SMN2RAB9ALMNAMAPTMEN1
SCHEMBL7472746 0.76 RAB9A (0.50) SMN1; SMN2RAB9ALMNAMAPTNPC1

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 4 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 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 SMN1; SMN2 4304/4885RAB9A 1475/4885LMNA 4369/4885

“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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