SCHEMBL4653865

SCHEMBL4653865

O=C1CSc2cc(C(=O)c3ccccc3)ccc2N1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.62
▸ MAOA P21397 6/20 0.56
▸ MAOB P27338 6/20 0.56
▸ ALDH1A1 P00352 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ EPHX2 P34913 1/20 0.53
▸ HPGD P15428 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL4652613 0.91 HTT (0.76) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL3006703 0.84 HTT (0.79) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL14565028 0.83 MAOB (0.57) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL8786021 0.80 MAOB (0.61) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL4654145 0.78 ALDH1A1 (0.52) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL9730163 0.77 HTT (0.56) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL13323 0.77 ALDH1A1 (0.60) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL30270528 0.77 HTT (1.00) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL619633 0.77 HTT (1.00) HTTMAOAMAOBALDH1A1LMNA
SCHEMBL8786235 0.77 MAOB (0.56) HTTMAOAMAOBALDH1A1LMNA

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
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 — — US disclosed
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 — — US 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-20080113974-A1 Heterocyclic Oxime Compounds, A Process For Their Preparation And Pharmaceutical Compositions Containing Them. CBR1, CYP3A7, CYP2C9 HTT 1780/4885MAOA 67/4885MAOB 26/4885
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof CYP19A1, CYP17A1, HSD17B11 HTT 4268/4885MAOA 97/4885MAOB 104/4885

“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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