SCHEMBL2238425

SCHEMBL2238425

O=C(O)c1c(C(=O)NO)c(C(=O)NO)c2ccccc2c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.48
HDAC6 Q9UBN7 6/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC1 Q13547 4/20 0.48
HSD17B10 Q99714 2/20 0.48
HDAC3 O15379 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
IDO1 P14902 1/20 0.48
ALOX15 P16050 1/20 0.48
CA9 Q16790 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
MMP3 P08254 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL54422 0.82 KDM4E (0.58) HSD17B10CA12CA1ALOX15CA9
SCHEMBL11409499 0.82 KDM4E (0.42) HSD17B10CA1CA9KDM4EMEN1
SCHEMBL31441237 0.80 KDM4E (0.56) HSD17B10CA12CA1ALOX15CA9
Hydrochloric Acid SCHEMBL16014117 0.80 KDM4E (0.56) HSD17B10CA12CA1ALOX15CA9
SCHEMBL31386574 0.80 KDM4E (0.56) HSD17B10CA12CA1ALOX15CA9
SCHEMBL16616351 0.80 KDM4E (0.56) HSD17B10CA12CA1ALOX15CA9
SCHEMBL28383554 0.80 KDM4E (0.56) HSD17B10CA12CA1ALOX15CA9
SCHEMBL5471425 0.80 KDM4E (0.44) HSD17B10CA1CA9KDM4EMEN1
SCHEMBL7721933 0.78 SMN1; SMN2 (0.42) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL29637896 0.76 CLCN2 (0.36) HDAC8HDAC6HDAC2HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170282172-A1 OXIDATION REACTOR AND PROCESS FOR PRODUCING OXIDE OSAKA PREFECTURE UNIVERSITY PUBLIC CORPORATION (JP) 2017-10-05 US disclosed
US-20170252717-A1 OXIDATION REACTOR AND PRODUCTION METHOD FOR OXIDE DAICEL CORPORATION (JP) 2017-09-07 US disclosed
US-20170253575-A1 SOLID ACID CATALYST AND METHOD FOR PRODUCING OXIDE DAICEL CORPORATION (JP) 2017-09-07 US disclosed
EP-3187480-A1 OXIDATION REACTOR AND PRODUCTION METHOD FOR OXIDE Daicel Corporation (JP) 2017-07-05 EP disclosed
EP-3187479-A1 OXIDATION REACTOR AND PROCESS FOR PRODUCING OXIDE Osaka Prefecture University Public Corporation (JP) 2017-07-05 EP disclosed
US-9447013-B2 Method for producing oxide DAICEL CORPORATION (JP) 2016-09-20 US disclosed
US-20160159722-A1 METHOD FOR PRODUCING OXIDE DAICEL CORPORATION (JP) 2016-06-09 US disclosed
EP-3023407-A1 METHOD FOR PRODUCING OXIDE Daicel Corporation (JP) 2016-05-25 EP disclosed
EP-2248792-B1 PROCESS FOR PRODUCTION OF OXYGEN-CONTAINING ORGANIC COMPOUND DAICEL CHEM (JP) 2013-11-27 EP disclosed
US-8410308-B2 Process for production of oxygen-containing organic compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2013-04-02 US disclosed
EP-1342715-B1 Process for producing oximes using nitirites DAICEL CHEM (JP) 2006-09-13 EP disclosed
US-7034184-B2 Process for producing azine compounds and oxime compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-04-25 US disclosed
US-20050080289-A1 Process for producing dicarboxylic acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-04-14 US disclosed
EP-1342714-B1 Process for producing azine compounds and oxime compounds DAICEL CHEM (JP) 2005-01-26 EP disclosed
EP-1471047-A1 PROCESS FOR PRODUCING DICARBOXYLIC ACID Daicel Chemical Industries, Ltd. (JP) 2004-10-27 EP disclosed
US-6768023-B2 REACTING AN ESTER OR SALT OF NITROUS ACID WITH A COMPOUND THAT GENERATES A FREE RADICAL IN THE PRESENCE OF A NITROGEN CONTAINING CYCLIC COMPOUND CONTAINING AN N-OXY OR -HYDROXY IMIDE GROUP; FORMING OXIMES, NITRO COMPOUNDS, AND KETONES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-07-27 US disclosed
US-20030204084-A1 Process for producing azine compounds and oxime compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-10-30 US disclosed
US-20030171618-A1 Process for producing organic compounds using nitrites DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-11 US disclosed
EP-1342715-A2 Process for producing oximes using nitirites Daicel Chemical Industries, Ltd. (JP) 2003-09-10 EP disclosed
EP-1342714-A1 Process for producing azine compounds and oxime compounds Daicel Chemical Industries, Ltd. (JP) 2003-09-10 EP 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 (5 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-20050080289-A1 Process for producing dicarboxylic acid OGDH, MCCC2, PCCA HDAC8 2033/4885HDAC6 2671/4885HDAC2 795/4885
US-20160159722-A1 METHOD FOR PRODUCING OXIDE HAO2, NOXO1, NOX4 HDAC8 2954/4885HDAC6 1524/4885HDAC2 2089/4885
US-20030204084-A1 Process for producing azine compounds and oxime compounds CBR1, DAO, ALKBH2 HDAC8 4133/4885HDAC6 2985/4885HDAC2 4025/4885
US-20030171618-A1 Process for producing organic compounds using nitrites NOS1, NOS2, NOS3 HDAC8 2698/4885HDAC6 1672/4885HDAC2 1020/4885
US-20170253575-A1 SOLID ACID CATALYST AND METHOD FOR PRODUCING OXIDE HAO2, HAO1, SCO2 HDAC8 2403/4885HDAC6 1323/4885HDAC2 1729/4885

“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.