SCHEMBL2004886

SCHEMBL2004886

O=C(NO)c1ccc2cc[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
HPGD P15428 1/20 0.66
ENPP2 Q13822 1/20 0.66
HSD17B10 Q99714 1/20 0.66
HDAC6 Q9UBN7 4/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
ESR1 P03372 4/20 0.57
CHRNA7 P36544 2/20 0.53

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
SCHEMBL1991906 0.86 HDAC6 (0.67) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL26345638 0.84 ALDH1A1 (0.64) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL4102768 0.84 ALDH1A1 (0.64) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL232249 0.84 ALDH1A1 (0.64) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL14526878 0.80 KDM4E (0.63) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL8403078 0.80 TAS1R3 (0.64) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL31593940 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL8110667 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL19531859 0.80 TAS1R3 (0.68) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL18585476 0.80 ALDH1A1 (0.58) KDM4EALDH1A1HPGDENPP2HSD17B10

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007109178-A9 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS INC (US) 2008-10-16 WO claimed
WO-2007109178-A2 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-09-27 WO claimed
US-20250387491-A1 SELECTIVE HISTONE DEACETYLASE 8 (HDAC8) DEGRADERS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-12-25 US disclosed
CN-119278034-A Selective histone deacetylase 8 (HDAC 8) degradants and methods of use thereof 丹娜-法伯癌症研究院 2025-01-07 CN disclosed
CN-106232584-A As the new compound of histone deacetylase 6 inhibitor and the pharmaceutical composition comprising it 株式会社钟根堂 2016-12-14 CN disclosed
US-9371281-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS LLC (US) 2016-06-21 US disclosed
US-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2015-10-22 US disclosed
US-20150038542-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS LLC 2015-02-05 US disclosed
US-8900565-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-02 US disclosed
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2013-06-20 US disclosed
US-20130078215-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2013-03-28 US disclosed
US-20100285516-A1 CALCIUM FLUX AS A PHARMACOEFFICACY BIOMARKER FOR INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-11-11 US disclosed
EP-2144622-A1 CALCIUM FLUX AS A PHARMACOEFFICACY BIOMARKER FOR INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-01-20 EP disclosed
WO-2009129335-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-10-22 WO disclosed
WO-2009089598-A2 MSMB-GENE METHYLATION BASED DIAGNOSIS, STAGING AND PROGNOSIS OF PROSTATE CANCER KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-07-23 WO disclosed
WO-2008128093-A1 CALCIUM FLUX AS A PHARMACOEFFICACY BIOMARKER FOR INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2008-10-23 WO disclosed
WO-2007109178-A9 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS INC (US) 2008-10-16 WO disclosed
WO-2008061160-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2008-05-22 WO disclosed
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-12-06 US disclosed
WO-2007109178-A2 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-09-27 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 (6 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-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 KDM4E 275/4885ALDH1A1 1362/4885HPGD 684/4885
US-20250387491-A1 SELECTIVE HISTONE DEACETYLASE 8 (HDAC8) DEGRADERS AND METHODS OF USE THEREOF HDAC8, HDAC1, VHL KDM4E 66/4885ALDH1A1 2914/4885HPGD 3780/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 KDM4E 275/4885ALDH1A1 1362/4885HPGD 684/4885
US-20130078215-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 KDM4E 1220/4885ALDH1A1 3783/4885HPGD 1240/4885
US-20150038542-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 KDM4E 1249/4885ALDH1A1 3775/4885HPGD 1280/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 KDM4E 275/4885ALDH1A1 1362/4885HPGD 684/4885

“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.