SCHEMBL1019306

SCHEMBL1019306

O=C=Nc1ccc2c(c1)CCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
ERN1 O75460 3/20 0.43
DYRK1A Q13627 4/20 0.42
DYRK1B Q9Y463 2/20 0.42
DYRK2 Q92630 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CYP3A4 P08684 2/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL26323681 0.90 DYRK1A (0.43) PRKCIERN1DYRK1ADYRK1BDYRK2
SCHEMBL27382765 0.83 PNMT (0.47) PRKCIERN1DYRK1ADYRK1BDYRK2
SCHEMBL592019 0.80 ADRA2A (0.53) MAPK1TDP1CYP3A4TRPA1MAPT
SCHEMBL10313452 0.80 PRKCI (0.47) PRKCIERN1DYRK1ADYRK1BDYRK2
SCHEMBL29540837 0.80 ADRA2A (0.53) MAPK1TDP1CYP3A4TRPA1MAPT
SCHEMBL1019756 0.77 ADRA2A (0.46) ERN1MAPK1TDP1CYP3A4TRPA1
SCHEMBL21124236 0.76 MAPT (0.49) MAPK1TDP1MAPTADRA2AADRA2B
SCHEMBL140824 0.73 HTR3E (0.53) MAPK1TDP1CYP3A4TRPA1MAPT
SCHEMBL29648863 0.73 HTR3E (0.53) MAPK1TDP1CYP3A4TRPA1MAPT
SCHEMBL3844804 0.73 ACACB (0.48) PRKCIERN1DYRK1ADYRK1BDYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118440-A Method for efficiently treating butanone oxime production wastewater 浙江锦华新材料股份有限公司 2024-12-13 CN claimed
US-20240154124-A1 NEGATIVE ELECTRODE PLATE AND LITHIUM-ION BATTERY COMPRISING SAME ZHUHAI COSMX BATTERY CO., LTD. (CN) 2024-05-09 US claimed
CN-115710481-A Single-component environment-friendly humidity-heat-resistant modified sealant and preparation method thereof 山东北方现代化学工业有限公司 2023-02-24 CN claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
CN-119118440-B Method for efficiently treating butanone oxime production wastewater 浙江锦华新材料股份有限公司 2025-08-05 CN disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
CN-119118440-A Method for efficiently treating butanone oxime production wastewater 浙江锦华新材料股份有限公司 2024-12-13 CN disclosed
CN-119118440-A Method for efficiently treating butanone oxime production wastewater 浙江锦华新材料股份有限公司 2024-12-13 CN disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
CN-114380874-B Macrolide antibiotics, preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-06-21 CN disclosed
WO-2005056554-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2005-06-23 WO disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO disclosed
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents AKARNA THERAPEUTICS, LTD. (GB) 2005-03-10 US disclosed
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 WO disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP disclosed
US-6159979-A Bicyclic aryl or a bicyclic heterocyclic ring containing compounds having a combined 5HT1A, 5HT1B and 5HT1D receptor antagonistic activity SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-12 US disclosed
EP-0975614-A1 A BICYCLIC ARYL OR A BICYCLIC HETEROCYCLIC RING CONTAINING COMPOUNDS HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998047885-A1 A BICYCLIC ARYL OR A BICYCLIC HETEROCYCLIC RING CONTAINING COMPOUNDS HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-10-29 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 (2 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-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR PRKCI 3498/4885ERN1 2099/4885DYRK1A 3109/4885
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 PRKCI 4830/4885ERN1 3374/4885DYRK1A 3852/4885

“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.