SCHEMBL14971502

SCHEMBL14971502

COc1ccc(Br)nc1OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.40
KMT2A Q03164 1/20 0.39
NQO1 P15559 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
CCR4 P51679 1/20 0.34
ACHE P22303 1/20 0.33
IDO1 P14902 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2144116 0.84 S1PR4 (0.43) NQO2NQO1CA12CA1CA2
SCHEMBL29769759 0.84 S1PR4 (0.43) NQO2NQO1CA12CA1CA2
SCHEMBL3579306 0.82 SMN1; SMN2 (0.44) ALDH1A1MAPTKDM4E
SCHEMBL2065957 0.82 TRPM8 (0.34) NQO2KMT2AMAPTCCR4L3MBTL1
SCHEMBL28566471 0.81 KMT2A (0.33) NQO2KMT2AALDH1A1MAPTCCR4
SCHEMBL21823686 0.79 HPGD (0.39) KMT2AALDH1A1MAPTPOLBKDM4E
SCHEMBL22621616 0.79 POLB (0.52) NQO2KMT2ANQO1CA12CA1
SCHEMBL19715581 0.79 NQO2 (0.37) NQO2ALDH1A1CCR4POLBTDP1
SCHEMBL3464647 0.78 L3MBTL1 (0.38) NQO2KMT2AALDH1A1MAPTTDP1
SCHEMBL34471362 0.78 S1PR4 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025122822-A1 THERAPEUTIC ALKALOID COMPOUNDS SENSORIUM THERAPEUTICS, INC. (US) 2025-06-12 WO disclosed
US-10202399-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-12 US disclosed
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-20170107226-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-04-20 US disclosed
US-20170107226-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-04-20 US disclosed
US-9573938-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-21 US disclosed
US-9562020-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-07 US disclosed
US-9562020-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-07 US disclosed
US-20160039771-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-02-11 US disclosed
US-20160039771-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-02-11 US disclosed
US-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-20 US disclosed
US-20140336165-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336165-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2014043252-A2 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-03-20 WO disclosed
WO-2013073577-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND アステラス製薬株式会社 (JP) 2013-05-23 WO disclosed
CN-102933079-A catechol-O-methyltransferase inhibitors and their use in the treatment of psychotic disorders MERCK SHARP & DOHME 2013-02-13 CN 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-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, P4HA1 NQO2 95/4885KMT2A 2000/4885NQO1 247/4885
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, DHX15 NQO2 109/4885KMT2A 1859/4885NQO1 337/4885
US-20160039771-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC NQO2 23/4885KMT2A 1341/4885NQO1 63/4885
US-10202399-B2 Dihydroxy aromatic heterocyclic compound DAO, DDO, DDC NQO2 25/4885KMT2A 1456/4885NQO1 61/4885
US-20140336165-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC NQO2 25/4885KMT2A 1456/4885NQO1 61/4885
US-20170107226-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC NQO2 25/4885KMT2A 1456/4885NQO1 61/4885

“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.