SCHEMBL2087881

SCHEMBL2087881

c1ccc2c(c1)CNc1ccccc1C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 1.00
HSD17B10 Q99714 1/20 1.00
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
AHR P35869 1/20 0.45
PDK2 Q15119 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HK1 P19367 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
GALK1 P51570 1/20 0.45
BLM P54132 1/20 0.45
HKDC1 Q2TB90 1/20 0.45

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
SCHEMBL31546300 1.00 ALOX15 (1.00) ALOX15HSD17B10GAANPSR1MEN1
SCHEMBL1828551 0.85
SCHEMBL30668800 0.85
SCHEMBL2041999 0.85
Ammonia Solution, Strong SCHEMBL7208186 0.82
SCHEMBL894019 0.81 ALOX15 (0.67) ALOX15HSD17B10GAANPSR1AHR
SCHEMBL11111017 0.81 ALOX15 (0.67) ALOX15HSD17B10GAANPSR1MEN1
SCHEMBL7337925 0.81 ALOX15 (0.67) ALOX15HSD17B10GAANPSR1MEN1
SCHEMBL7866841 0.81 ALOX15 (0.67) ALOX15HSD17B10GAANPSR1MEN1
SCHEMBL1639814 0.81 ALOX15 (0.68) ALOX15HSD17B10GAANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US claimed
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP claimed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US claimed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP claimed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP claimed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US claimed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP claimed
US-11046889-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2021-06-29 US disclosed
US-10919870-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2021-02-16 US disclosed
US-10649124-B2 Composition including compound having mesogenic group, polymer and optically anisotropic body obtained by polymerizing polymerizable composition, and phase difference film DIC CORPORATION (JP) 2020-05-12 US disclosed
US-10633353-B2 Polymerizable compound, composition, polymer, optically anisotropic body, liquid crystal display element, and organic EL display DIC CORPORATION (JP) 2020-04-28 US disclosed
US-20190025490-A1 COMPOSITION INCLUDING COMPOUND HAVING MESOGENIC GROUP, POLYMER AND OPTICALLY ANISOTROPIC BODY OBTAINED BY POLYMERIZING POLYMERIZABLE COMPOSITION, AND PHASE DIFFERENCE FILM DIC CORPORATION (JP) 2019-01-24 US disclosed
US-20180037817-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2018-02-08 US disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed
US-5348965-A N-substituted azaheterocyclic carboxylic acids NOVO NORDISK A/S (DK) 1994-09-20 US disclosed
EP-0607864-A2 Tricyclic condensed heterocyclic compounds for the treatment of senile dementic Takeda Chemical Industries, Ltd. (JP) 1994-07-27 EP disclosed
EP-0585314-A1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS. NOVO NORDISK AS (DK) 1994-03-09 EP disclosed
WO-1992020658-A1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS NOVO NORDISK A/S (DK) 1992-11-26 WO disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed
US-4230703-A ANALGESICS; ANTIINFLAMMATORY AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-10-28 US 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-10919870-B2 Polymerizable compound and optically anisotropic body ZYX, ZW10, DPY30 ALOX15 1452/4885HSD17B10 1482/4885GAA 2711/4885
US-10633353-B2 Polymerizable compound, composition, polymer, optically anisotropic body, liquid crystal display element, and organic EL display RPL19, RPL24, RPL29 ALOX15 88/4885HSD17B10 2555/4885GAA 2314/4885
US-11046889-B2 Polymerizable compound and optically anisotropic body OCIAD1, RCC1, OCIAD2 ALOX15 26/4885HSD17B10 1339/4885GAA 3881/4885

“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.