SCHEMBL437684

SCHEMBL437684

Oc1cccc2ccc(Cl)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.64
NCF1 P14598 1/20 0.64
METAP2 P50579 2/20 0.59
ALOX12 P18054 3/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
HIF1A Q16665 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KMT2A Q03164 6/20 0.53
KDM4E B2RXH2 5/20 0.53
SOS2 Q07890 1/20 0.53
TSHR P16473 2/20 0.52
MMP2 P08253 1/20 0.52
CHRM1 P11229 1/20 0.52
COMT P21964 1/20 0.52
ADRA1A P35348 1/20 0.52

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
SCHEMBL31424217 1.00 PLAU (0.64) PLAUNCF1METAP2ALOX12ALDH1A1
Hydrochloric Acid SCHEMBL1946689 0.98 PLAU (0.62) PLAUNCF1METAP2ALOX12ALDH1A1
Sulfuric Acid SCHEMBL7561856 0.91 KDM4E (0.59) PLAUNCF1METAP2ALOX12ALDH1A1
SCHEMBL14337175 0.86 PLAU (0.48) PLAUNCF1METAP2ALOX12ALDH1A1
SCHEMBL361523 0.78 NCF1 (1.00) PLAUNCF1METAP2ALOX12ALDH1A1
SCHEMBL29683992 0.77 SLC40A1 (0.45) PLAUNCF1ALDH1A1CYP1A2CYP3A4
SCHEMBL21767732 0.77 METAP2 (0.63) PLAUNCF1METAP2ALOX12ALDH1A1
SCHEMBL30082244 0.77 METAP2 (0.63) PLAUNCF1METAP2ALOX12ALDH1A1
SCHEMBL845037 0.77 SLC40A1 (0.45) PLAUNCF1ALDH1A1CYP1A2CYP3A4
SCHEMBL672744 0.77 METAP2 (0.63) PLAUNCF1METAP2ALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-220702584-U Vacuum material absorbing structure and 5-chloro-8-hydroxyquinoline purifying device 沁阳泓盛精细化工有限公司 2024-04-02 CN claimed
CN-116769157-A Poly alpha-oximido amide compound and preparation method and application thereof 华南理工大学 2023-09-19 CN claimed
CN-115417892-A Isoxazole substituted boron-nitrogen heterocyclic compound and synthetic method thereof 福州大学 2022-12-02 CN claimed
CN-115073442-A Disulfide bond-containing compound, preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2022-09-20 CN claimed
EP-3878851-A1 PROCESS FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2021-09-15 EP claimed
CN-107406394-B Process for the preparation of substituted phenylisoxazoline derivatives 拜耳作物科学股份公司 2021-09-03 CN claimed
CN-112521402-A 1,2, 4-oxadiazole [5,5] bicyclic fused ring compound and preparation method thereof 北京理工大学 2021-03-19 CN claimed
CN-108997171-B Synthetic method of 3+2 closed ring 苏州正济医药研究有限公司 2020-11-27 CN claimed
US-10822331-B2 Processes for preparing ATR inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-11-03 US claimed
CN-107629020-B 4H-1,2, 4-oxadiazine-5 (6H) -ketone compound and synthetic method thereof 湖北科技学院 2020-09-04 CN claimed
EP-2751097-A2 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2014-07-09 EP claimed
CN-103638030-A Application of nitrosylruthenium complexes taking 2-chloro-8-hydroxyquinoline as ligand UNIV SHANXI 2014-03-19 CN claimed
US-20130184292-A1 Processes for Making Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US claimed
WO-2013049726-A2 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 WO claimed
EP-0726268-B1 Substituted benzisoxazole and benzisothiazole herbicidal agents AMERICAN CYANAMID CO (US) 2000-11-02 EP claimed
CN-1135420-A Anti-counterfeiting fluorescent pressure-sensitive carbon paper and manufacturing method thereof GEDE ANTIFAKE TECH CO NANKAI U (CN) 1996-11-13 CN claimed
EP-0096457-B1 INDIUM COMPLEXES OF SUBSTITUTED 8-HYDROXY-QUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIBACTERIAL AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-03-11 EP claimed
EP-0013111-B1 3'-(SUBSTITUTED PHENYL)-SPIRO(ISOBENZOFURAN-1(3H),5'(4'H)-ISOXAZOL)-3-ONES, PROCESS FOR THEIR PREPARATION, THEIR USE AS HERBICIDES AND PLANT GROWTH REGULANTS AND THEIR APPLICATION TO THE PREPARATION OF ISOXAZOLE DERIVATIVES MONSANTO COMPANY (US) 1984-02-22 EP claimed
EP-0013111-A2 3'-(substituted phenyl)-spiro(isobenzofuran-1(3H),5'(4'H)-isoxazol)-3-ones, process for their preparation, their use as herbicides and plant growth regulants and their application to the preparation of isoxazole derivatives MONSANTO COMPANY (US) 1980-07-09 EP claimed
US-4209629-A HERBICIDES, PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1980-06-24 US claimed

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-10822331-B2 Processes for preparing ATR inhibitors ATR, ATRIP, CHEK1 PLAU 4279/4885NCF1 2340/4885METAP2 3476/4885
US-20130184292-A1 Processes for Making Compounds Useful as Inhibitors of ATR Kinase ATR, ATRIP, CHEK1 PLAU 4207/4885NCF1 2045/4885METAP2 3273/4885

“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.