SCHEMBL4421114

SCHEMBL4421114

O=Cc1cc(OCc2ccccc2)c2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.48
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
ALOX5 P09917 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
SCHEMBL4045055 0.81 MAOA (0.57) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL31528101 0.80 MAOB (0.55) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL14582853 0.78 MAOA (0.54) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL29446267 0.78 TACR2 (0.62) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL584489 0.78 TACR2 (0.62) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL31359542 0.77 MAOB (0.48) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL31359539 0.77 MAOB (0.48) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL1128474 0.77 ALOX5 (0.55) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL29754139 0.77 ALOX5 (0.55) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL4419141 0.77 MRGPRX4 (0.44) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270758-A1 PYRIDINO-OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ZHEJIANG GENFLEET THERAPEUTICS CO., LTD. (CN) 2024-08-15 US disclosed
EP-4332105-A1 PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-03-06 EP disclosed
CN-117222650-A Pyridine or pyrimido-ring compound, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2023-12-12 CN disclosed
WO-2022228568-A1 PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 劲方医药科技(上海)有限公司 2022-11-03 WO disclosed
US-20220144854-A1 MACROCYCLIC COMPOUNDS ZENO MANAGEMENT, INC. 2022-05-12 US disclosed
US-20220144854-A1 MACROCYCLIC COMPOUNDS ZENO MANAGEMENT, INC. 2022-05-12 US disclosed
CN-113950481-A Macrocyclic compounds 芝诺管理公司 2022-01-18 CN disclosed
EP-3924358-A1 MACROCYCLIC COMPOUNDS Zeno Management, Inc. (US) 2021-12-22 EP disclosed
WO-2020185606-A1 MACROCYCLIC COMPOUNDS ZENO MANAGEMENT, INC. (US) 2020-09-17 WO disclosed
WO-2020185606-A1 MACROCYCLIC COMPOUNDS ZENO MANAGEMENT, INC. (US) 2020-09-17 WO disclosed
WO-2018178226-A1 MCL-1 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2018-10-04 WO disclosed
US-7495001-B2 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
CN-1875001-A Benzocyclolated compounds as PPAR activators HOFFMANN LA ROCHE (CH) 2006-12-06 CN disclosed
EP-1682507-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049572-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20220144854-A1 MACROCYCLIC COMPOUNDS MCL1, BCL9, CYC1 RAB9A 3804/4885NPC1 722/4885SMN1; SMN2 2012/4885
US-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG RAB9A 1563/4885NPC1 867/4885SMN1; SMN2 2906/4885
US-20240270758-A1 PYRIDINO-OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF KRAS, NRAS, BRAF RAB9A 1025/4885NPC1 3286/4885SMN1; SMN2 3933/4885

“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.