SCHEMBL5283128

SCHEMBL5283128

C=CCNC(=O)[C@@H](N)Cc1cn(C)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GPR84 Q9NQS5 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ PTPN5 P54829 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ IDE P14735 1/20 0.42

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
SCHEMBL6037979 1.00 ALDH1A1 (0.46) ALDH1A1MAPTRECQLKDM4ELMNA
SCHEMBL18407282 0.83 ALDH1A1 (0.51) ALDH1A1MAPTRECQLKDM4ELMNA
SCHEMBL4929067 0.83 ALDH1A1 (0.52) ALDH1A1MAPTRECQLKDM4ELMNA
SCHEMBL4929082 0.83 ALDH1A1 (0.52) ALDH1A1MAPTRECQLKDM4ELMNA
Hydrochloric Acid SCHEMBL18395509 0.82 ALDH1A1 (0.50) ALDH1A1MAPTRECQLKDM4ELMNA
SCHEMBL18407260 0.81 KDM4E (0.49) ALDH1A1MAPTRECQLKDM4ELMNA
Hydrochloric Acid SCHEMBL18395771 0.81 KDM4E (0.48) ALDH1A1MAPTRECQLKDM4ELMNA
SCHEMBL24445574 0.79 SCN9A (0.57) ALDH1A1MAPTRECQLKDM4ELMNA
SCHEMBL17306338 0.79 ALDH1A1 (0.56) ALDH1A1MAPTRECQLKDM4ELMNA
1-Methyltryptophan SCHEMBL14202956 0.79 MAPT (0.71) ALDH1A1MAPTRECQLKDM4ELMNA

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
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 — — EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 — — US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 — — WO disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 — — 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 (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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 ALDH1A1 781/4885MAPT 3848/4885RECQL 418/4885

“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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