SCHEMBL4406799

SCHEMBL4406799

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MGAM O43451 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ SI P14410 2/20 0.42
▸ MGAM2 Q2M2H8 2/20 0.42
▸ FASN P49327 5/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ PARP14 Q460N5 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ SCD5 Q86SK9 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ UBE2M P61081 1/20 0.37

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
SCHEMBL4406793 0.83 TP53 (0.44) TP53MEN1NPC1ALDH1A1HPGD
SCHEMBL4398499 0.77 EPHX2 (0.46) NPC1ALDH1A1HPGDKMT2AMGLL
Trifluoroacetic Acid SCHEMBL4407038 0.76 TPSAB1 (0.53) —
SCHEMBL4406797 0.73 GPR119 (0.47) TP53MEN1NPC1RAB9AKMT2A
SCHEMBL4395895 0.72 BCL2 (0.41) TP53MEN1KMT2AFASNLMNA
SCHEMBL4403355 0.71 LMNA (0.41) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL4406784 0.70 LMNA (0.43) MEN1HPGDKMT2ALMNAUBE2M
SCHEMBL14885419 0.70 BRD4 (0.42) TP53LMNA
SCHEMBL4398657 0.70 LMNA (0.49) TP53LMNAUBE2MDCUN1D1
SCHEMBL4406877 0.69 LMNA (0.39) TP53NPC1ALDH1A1RAB9AKMT2A

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 4261/4885MEN1 2733/4885NPC1 806/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 TP53 4261/4885MEN1 2733/4885NPC1 806/4885

“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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