SCHEMBL2070858

SCHEMBL2070858

O=c1[c]cc2c([nH]1)CCN(Cc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.51
ACHE P22303 8/20 0.49
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRA2 P47869 1/20 0.44
AKR1B1 P15121 1/20 0.43
PNMT P11086 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 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
SCHEMBL1015636 0.80 SLC6A5 (0.54) SLC6A5ACHEMEN1NPC1RAB9A
SCHEMBL17984953 0.76 SLC6A5 (0.54) SLC6A5ACHEMEN1NPC1RAB9A
SCHEMBL16264682 0.76 SLC6A5 (0.54) SLC6A5ACHEMEN1NPC1RAB9A
SCHEMBL8566026 0.73 SLC6A5 (0.54) SLC6A5ACHEMEN1NPC1RAB9A
SCHEMBL9256480 0.73 HPGD (0.51) SLC6A5ACHEMEN1NPC1RAB9A
SCHEMBL8562303 0.73 SLC6A5 (0.51) SLC6A5ACHEMEN1NPC1RAB9A
SCHEMBL16492188 0.73 ACHE (0.51) SLC6A5ACHEMEN1NPC1RAB9A
SCHEMBL8564321 0.73 SLC6A5 (0.53) SLC6A5ACHEKMT2AGABRA1GABRA2
Hydrochloric Acid SCHEMBL4793706 0.73 HPGD (0.50) SLC6A5ACHEMEN1NPC1RAB9A
SCHEMBL31376614 0.72 MEN1 (0.50) SLC6A5ACHEMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 EP disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 SLC6A5 3964/4885ACHE 1820/4885MEN1 2981/4885

“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.