SCHEMBL2006899

SCHEMBL2006899

COc1[nH]c2ccccc2c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.57
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
ATM Q13315 1/20 0.51
HPGD P15428 2/20 0.47
DAO P14920 1/20 0.47
DDO Q99489 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR3 P46089 1/20 0.46
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
NR4A2 P43354 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PADI4 Q9UM07 1/20 0.43
KIF11 P52732 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4208427 0.79 KDM4E (0.51) AHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL12613819 0.78 KDM4E (0.46) AHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL8087797 0.77 GSK3B (0.63) AHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL7311543 0.76 KDM4E (0.57) AHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL7195762 0.75 AHR (0.70) AHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL4149335 0.74 AHR (0.52) AHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL31744706 0.73 AHR (0.46) AHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL1557504 0.73 KDM4E (0.55) AHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL28012374 0.73 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EMAPTATM
SCHEMBL29420757 0.73 AHR (1.00) AHRALDH1A1HSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964627-B2 Amino arylsulfonamide compounds and their use as 5-HT6 ligands SUVEN LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-20100216861-A1 AMINO ARYLSULFONAMIDE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-08-26 US disclosed
US-20080262035-A1 Amide Derivatives as Inhibitors of Histone Deacetylase MERCK & CO., INC. 2008-10-23 US disclosed
EP-1768956-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-04-04 EP disclosed
WO-2006005955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-01-19 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 (3 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-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE MCHR1, MC5R, MCHR2 AHR 97/4885ALDH1A1 1615/4885HSD17B10 724/4885
US-20080262035-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 AHR 505/4885ALDH1A1 235/4885HSD17B10 189/4885
US-20100216861-A1 AMINO ARYLSULFONAMIDE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR5A, HTR1A AHR 134/4885ALDH1A1 1057/4885HSD17B10 2550/4885

“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.