SCHEMBL4406793

SCHEMBL4406793

CC(C)(C)OC(=O)N(Cc1cccc(C2CCN(C(=O)c3cccc(-c4nnc(-c5ccccc5Cl)o4)c3)CC2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ FASN P49327 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ TPSAB1 Q15661 1/20 0.37
▸ PARP14 Q460N5 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SCD5 Q86SK9 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
SCHEMBL4406799 0.83 TP53 (0.45) TP53KMT2ASMN1; SMN2MEN1NPC1
Trifluoroacetic Acid SCHEMBL4407038 0.81 TPSAB1 (0.53) TPSAB1
SCHEMBL4397958 0.78 ACACB (0.42) KMT2AMEN1KCNH2TPSAB1PARP14
SCHEMBL4399211 0.77 ACACB (0.46) KMT2AMEN1PARP14PARP10
SCHEMBL4403349 0.76 LMNA (0.44) TPSAB1PARP14PARP10LMNA
SCHEMBL4398493 0.75 EPHX2 (0.43) KMT2APARP14LMNA
SCHEMBL4404678 0.74 GRM5 (0.49) TPSAB1PARP14PARP10
SCHEMBL4399108 0.74 PARP1 (0.39) TPSAB1LMNA
SCHEMBL4406792 0.74 JAK2 (0.41) SMN1; SMN2ALDH1A1TPSAB1
Hydrochloric Acid SCHEMBL4405890 0.74 NPC1 (0.60) KMT2ASMN1; SMN2MEN1NPC1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 — — EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 — — US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 — — US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 — — US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 — — EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 — — WO 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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 TP53 4261/4885KMT2A 2305/4885SMN1; SMN2 3953/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 TP53 4261/4885KMT2A 2305/4885SMN1; SMN2 3953/4885

“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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