SCHEMBL2072294

SCHEMBL2072294

[CH]1CNCc2[nH]c3ccccc3c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
NR2E1 Q9Y466 2/20 0.50
HTR5A P47898 1/20 0.50
NISCH Q9Y2I1 1/20 0.50
TAAR1 Q96RJ0 1/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GPR3 P46089 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
AHR P35869 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
CHRNA7 P36544 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL224289 0.82 HTR2C (0.57) KDM4ENR2E1HTR5ANISCHTAAR1
SCHEMBL1825781 0.73 HTR2A (0.46) KDM4ENR2E1HTR5ANISCHTAAR1
SCHEMBL223751 0.73 ALDH1A1 (0.50) KDM4ENR2E1HTR5ANISCHTAAR1
SCHEMBL30136570 0.71 KDM4E (0.70) KDM4ENR2E1HTR5ANISCHTAAR1
SCHEMBL1171857 0.71 KDM4E (0.70) KDM4ENR2E1HTR5ANISCHTAAR1
SCHEMBL29424329 0.70 KDM4E (0.42) KDM4ENR2E1HTR5ANISCHTAAR1
SCHEMBL465036 0.70 KDM4E (0.42) KDM4ENR2E1HTR5ANISCHTAAR1
SCHEMBL3925948 0.69 KDM4E (0.41) KDM4ENR2E1HTR5ANISCHTAAR1
Tryptoline SCHEMBL171755 0.67 NISCH (1.00) KDM4ENR2E1HTR5ANISCHTAAR1
Tryptoline SCHEMBL12190178 0.67 NISCH (1.00) KDM4ENR2E1HTR5ANISCHTAAR1

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 KDM4E 757/4885NR2E1 1886/4885HTR5A 470/4885
US-20090156619-A1 Heterocycle Substituted Amide and Sulfur Amide Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC6, HDAC11 KDM4E 971/4885NR2E1 2237/4885HTR5A 1178/4885

“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.