SCHEMBL588693

SCHEMBL588693

N#Cc1c(CBr)cccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 11/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 1/20 0.41
PDCD1 Q15116 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM2 Q14416 1/20 0.40
SQOR Q9Y6N5 1/20 0.40
ADRA2C P18825 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
SCHEMBL30777434 1.00 CD274 (0.45) CD274ALDH1A1KDM4EMAPK1L3MBTL1
SCHEMBL16554640 0.84 CD274 (0.55) CD274ALDH1A1KDM4EMAPK1L3MBTL1
SCHEMBL3181728 0.82 DPP4 (0.60) CD274ALDH1A1KDM4EMAPK1L3MBTL1
SCHEMBL28148661 0.82 CD274 (0.45) CD274ALDH1A1KDM4EMAPK1L3MBTL1
SCHEMBL3644296 0.81 ESR2 (0.40) ALDH1A1SMN1; SMN2CYP1A2ADRA2C
SCHEMBL12679716 0.80 ALDH1A1 (0.52) CD274ALDH1A1KDM4EMAPK1L3MBTL1
SCHEMBL2809185 0.80 CYP1A2 (0.39) ALDH1A1KDM4EL3MBTL1SMN1; SMN2MEN1
SCHEMBL21367487 0.79 CD274 (0.58) CD274
SCHEMBL29210714 0.79 KDM4E (0.47) CD274ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL2575063 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EMAPK1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271246-A Method for continuously preparing 2-butyl-1, 3-diazaspiro [4.4] nonane-1-en-4-one 浙江华海药业股份有限公司 2024-07-02 CN claimed
CN-115215813-A Method for controlling valsartan impurity 江苏新瑞药业有限公司 2022-10-21 CN claimed
CN-108732279-B Method for analyzing and determining genotoxic impurities in valsartan by using HPLC (high performance liquid chromatography) method 齐鲁制药有限公司 2022-07-08 CN claimed
CN-108732279-A A method of it is analyzed using HPLC methods and measures genotoxicity impurity in Valsartan 齐鲁制药有限公司 2018-11-02 CN claimed
CN-114436833-B Preparation method of telmisartan key intermediate 4' -bromomethyl biphenyl-2-carboxylate 南京红太阳医药研究院有限公司 2024-12-24 CN disclosed
CN-118271246-A Method for continuously preparing 2-butyl-1, 3-diazaspiro [4.4] nonane-1-en-4-one 浙江华海药业股份有限公司 2024-07-02 CN disclosed
CN-112105610-B Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2024-01-26 CN disclosed
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation Jubilant Prodel LLC 2022-12-20 US disclosed
CN-115215813-A Method for controlling valsartan impurity 江苏新瑞药业有限公司 2022-10-21 CN disclosed
CN-108732279-B Method for analyzing and determining genotoxic impurities in valsartan by using HPLC (high performance liquid chromatography) method 齐鲁制药有限公司 2022-07-08 CN disclosed
CN-108732279-B Method for analyzing and determining genotoxic impurities in valsartan by using HPLC (high performance liquid chromatography) method 齐鲁制药有限公司 2022-07-08 CN disclosed
CN-114436833-A Preparation method of telmisartan key intermediate 4' -methylbiphenyl-2-carboxylic ester 南京红太阳医药研究院有限公司 2022-05-06 CN disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed
WO-2007026375-A1 PROCESS FOR THE PREPARATION OF LOSARTAN SUVEN LIFE SCIENCES (IN) 2007-03-08 WO disclosed
WO-2007013101-A1 PROCESS FOR PRODUCING 2-(N-BUTYL)-3-[[2'-(TETRAZOL-5-YL)BIPHENYL- 4-YL]METHYL]-l,3-DIAZASPIRO[4.4] NON-1-EN-4-ONE JUBILANT ORGANOSYS LIMITED (IN) 2007-02-01 WO disclosed
EP-1019048-A1 USE OF AN ANGIOTENSIN II RECEPTOR ANTAGONIST FOR THE PREPARATION OF DRUGS TO INCREASE THE SURVIVAL RATE OF RENAL TRANSPLANT PATIENTS Merck Sharp Dohme (Italia) S.P.A. (IT) 2000-07-19 EP disclosed
WO-1999033788-A2 METHOD FOR PRODUCING AROMATIC BROMOMETHYL BIPHENYL COMPOUNDS GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) 1999-07-08 WO disclosed
WO-1999016437-A1 USE OF AN ANGIOTENSIN II RECEPTOR ANTAGONIST FOR THE PREPARATION OF DRUGS TO INCREASE THE SURVIVAL RATE OF RENAL TRANSPLANT PATIENTS MERCK SHARP DOHME (ITALIA) S.P.A. (IT) 1999-04-08 WO disclosed
US-5369114-A Angiotensin II antagonist IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-11-29 US disclosed
EP-0456442-A1 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-11-13 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 (1 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-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation CD274, PDCD1, PDCD1LG2 CD274 1/4885ALDH1A1 86/4885KDM4E 2775/4885

“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.