SCHEMBL2074497

SCHEMBL2074497

Cc1csc(-c2[c]scc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
ADORA2A P29274 5/20 0.39
ADORA1 P30542 2/20 0.39
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
NOS1 P29475 1/20 0.36
GLA P06280 1/20 0.36
TGFBR1 P36897 2/20 0.33

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
SCHEMBL11126054 0.73 PDE10A (0.49) PDE10ACYP3A4CYP2E1CYP2A6CYP2C9
SCHEMBL18157874 0.72 SMN1; SMN2 (0.55) PDE10ACYP3A4CYP2E1CYP2A6CYP2C9
SCHEMBL5027454 0.70 GAA (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL533221 0.69 CYP3A4 (0.51) PDE10ACYP3A4CYP2E1CYP2A6CYP2C9
SCHEMBL15819648 0.69 PDE10A (0.38) PDE10ACYP3A4CYP2E1CYP2A6CYP2C9
SCHEMBL2156268 0.69 PDE10A (0.38) PDE10ACYP3A4CYP2E1CYP2A6CYP2C9
SCHEMBL8198560 0.69 CYP3A4 (0.60) PDE10ACYP3A4CYP2E1CYP2A6CYP2C9
SCHEMBL3145458 0.68 CYP3A4 (0.50) PDE10ACYP3A4CYP2E1CYP2A6CYP2C9
SCHEMBL7905176 0.67 CYP3A4 (0.58) PDE10ACYP3A4CYP2E1CYP2A6CYP2C9
SCHEMBL5324014 0.66 PDE10A (0.45) PDE10ACYP3A4CYP2E1CYP2A6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976833-B1 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2015-07-29 EP disclosed
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
US-8080573-B2 Heterocycle substituted amide and sulfur amide derivatives as histone deacetylase (hdac) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-12-20 US 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-20090156619-A1 Heterocycle Substituted Amide and Sulfur Amide Derivatives as Histone Deacetylase (HDAC) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
EP-1976833-A2 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-10-08 EP 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-2007052073-A2 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-05-10 WO 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 (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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 PDE10A 3916/4885CYP3A4 2408/4885CYP2E1 2157/4885
US-20090156619-A1 Heterocycle Substituted Amide and Sulfur Amide Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC6, HDAC11 PDE10A 4145/4885CYP3A4 3089/4885CYP2E1 2850/4885

“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.