SCHEMBL55612

SCHEMBL55612

O=[N+]([O-])c1ccc(OCCO)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.51
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GABRA5 P31644 1/20 0.47
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PABPC1 P11940 2/20 0.46
CYP2C19 P33261 2/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
SLC2A1 P11166 1/20 0.44
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL31636995 0.90 HSPB1 (0.49) HSPB1TSHRTDP1GAAL3MBTL1
SCHEMBL26114342 0.90 HSPB1 (0.49) HSPB1TSHRTDP1GAAL3MBTL1
SCHEMBL25690971 0.89 HSPB1 (0.48) HSPB1TSHRTDP1GAAL3MBTL1
SCHEMBL16943515 0.87 HSPB1 (0.55) HSPB1GAAL3MBTL1GABRA5MAPT
SCHEMBL14271698 0.85 PTGS2 (0.50) TSHRTDP1GAAMAPTMEN1
SCHEMBL30431925 0.83 HSPB1 (0.51) HSPB1GAAL3MBTL1GABRA5MAPT
SCHEMBL29024512 0.83 HSPB1 (0.51) HSPB1GAAL3MBTL1GABRA5MAPT
SCHEMBL17672793 0.83 HSPB1 (0.51) HSPB1GAAL3MBTL1GABRA5MAPT
SCHEMBL4271251 0.82 HSPB1 (0.50) HSPB1GAAL3MBTL1GABRA5MAPT
SCHEMBL3333575 0.82 MAPT (0.58) HSPB1GAAL3MBTL1GABRA5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528827-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2026-01-20 US disclosed
US-20240309019-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-09-19 US disclosed
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-19 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN disclosed
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 US disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 WO disclosed
US-6294580-B1 FOR THERAPY AND PROPHYLAXIS OF TYPE II OR NON-INSULIN DEPENDENT DIABETES MELLITUS, HYPERGLYCAEMIA, DYSLIPIDEMIA, TYPE II DIABETES, TYPE I DIABETES, HYPERTRIGLYCERIDEMIA, SYNDROME X, INSULIN RESISTANCE, HEART FAILURE GLAXO WELLCOME INC. 2001-09-25 US disclosed
EP-0888317-B1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LTD (GB) 2001-09-12 EP disclosed
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 EP disclosed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 WO disclosed
US-5219863-A Treating hypertension and congestive heat failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 US disclosed
EP-0487252-A1 Quinoline and 1,5-Naphthyridine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1992-05-27 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 (8 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 HSPB1 4644/4885TSHR 1191/4885TDP1 227/4885
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R HSPB1 4737/4885TSHR 1364/4885TDP1 229/4885
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors F2RL3, PARP14, F2R HSPB1 4765/4885TSHR 1157/4885TDP1 253/4885
US-20240309019-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R HSPB1 4737/4885TSHR 1364/4885TDP1 229/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 HSPB1 4644/4885TSHR 1191/4885TDP1 227/4885
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 HSPB1 506/4885TSHR 602/4885TDP1 1989/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 HSPB1 485/4885TSHR 588/4885TDP1 2163/4885
US-12528827-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors F2RL3, F2R, PF4 HSPB1 3257/4885TSHR 640/4885TDP1 661/4885

“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.