SCHEMBL2073724

SCHEMBL2073724

Cc1[c][nH]c2cccc(OCc3ccccc3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HTR2A P28223 3/20 0.48
EDNRA P25101 1/20 0.45
LIPE Q05469 1/20 0.43
SRD5A2 P31213 1/20 0.43
HTR6 P50406 1/20 0.42
DCPS Q96C86 1/20 0.42
MAOB P27338 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 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
SCHEMBL2075074 0.81 GRK6 (0.46) MAPTTDP1L3MBTL1
SCHEMBL2072979 0.76 ABCG2 (0.42) MAPTL3MBTL1HTR2AHTR6GABRP
SCHEMBL1013397 0.75 HTR2A (0.62) MAPTMAPK1TDP1L3MBTL1HTR2A
SCHEMBL2004850 0.73 SGMS2 (0.55) MAPTMAPK1TDP1L3MBTL1HTR2A
SCHEMBL9022999 0.72 MAPT (0.49) MAPTMAPK1TDP1L3MBTL1HTR2A
SCHEMBL28374945 0.72 HTR2A (0.63) MAPTMAPK1TDP1L3MBTL1HTR2A
SCHEMBL28167742 0.72 HTR2A (0.62) MAPTMAPK1TDP1L3MBTL1HTR2A
SCHEMBL19612191 0.71 MAPT (1.00) MAPTMAPK1TDP1L3MBTL1EDNRA
SCHEMBL265584 0.71 MAPK1 (0.70) MAPTMAPK1TDP1L3MBTL1LIPE
SCHEMBL29874217 0.71 MAPK1 (0.70) MAPTMAPK1TDP1L3MBTL1LIPE

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 MAPT 32/4885MAPK1 1394/4885TDP1 362/4885

“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.