SCHEMBL4652644

SCHEMBL4652644

CON=C(c1ccccc1)c1ccc2c(c1)NC(=O)CS2

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.62
▸ LMNA P02545 2/20 0.62
▸ HTT P42858 5/20 0.60
▸ HPGD P15428 1/20 0.54
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ POLB P06746 3/20 0.47
▸ MAPT P10636 4/20 0.46
▸ PKM P14618 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MAOA P21397 3/20 0.45
▸ MAOB P27338 3/20 0.45
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4654145 0.93 ALDH1A1 (0.52) ALDH1A1LMNAHTTHPGDKMT2A
SCHEMBL4652613 0.78 HTT (0.76) ALDH1A1LMNAHTTHPGDKMT2A
SCHEMBL4653850 0.77 GAA (0.56) ALDH1A1LMNAPOLBMAPTPKM
SCHEMBL30248834 0.77 ALDH1A1 (1.00) ALDH1A1LMNAHTTHPGDKMT2A
SCHEMBL750896 0.77 ALDH1A1 (1.00) ALDH1A1LMNAHTTHPGDKMT2A
SCHEMBL30270528 0.76 HTT (1.00) ALDH1A1LMNAHTTHPGDKMT2A
SCHEMBL619633 0.76 HTT (1.00) ALDH1A1LMNAHTTHPGDKMT2A
SCHEMBL3254310 0.75 ALDH1A1 (0.90) ALDH1A1LMNAHTTHPGDKMT2A
SCHEMBL4653945 0.75 GAA (0.45) ALDH1A1LMNAPOLBMAPTPKM
SCHEMBL4286520 0.74 HTT (0.75) ALDH1A1LMNAHTTHPGDKMT2A

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-1844029-B1 NOVEL HETEROCYCLIC OXIME DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS HYPOGLYCAEMIC OR HYPOLIPIDEMIC AGENTS SERVIER LAB (FR) 2008-11-12 — — EP disclosed
US-20080113974-A1 Heterocyclic Oxime Compounds, A Process For Their Preparation And Pharmaceutical Compositions Containing Them. LES LABORATOIRES SERVIER (FR) 2008-05-15 — — US disclosed
EP-1844029-A1 NOVEL HETEROCYCLIC OXIME DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS HYPOGLYCAEMIC OR HYPOLIPIDEMIC AGENTS Les Laboratoires Servier (FR) 2007-10-17 — — EP disclosed
WO-2006079720-A1 NOVEL HETEROCYCLIC OXIME DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS HYPOGLYCAEMIC OR HYPOLIPIDEMIC AGENTS LES LABORATOIRES SERVIER (FR) 2006-08-03 — — 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-20080113974-A1 Heterocyclic Oxime Compounds, A Process For Their Preparation And Pharmaceutical Compositions Containing Them. CBR1, CYP3A7, CYP2C9 ALDH1A1 521/4885LMNA 3130/4885HTT 1780/4885

“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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