SCHEMBL40356

SCHEMBL40356

[CH2]c1ccc(N=Nc2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAPT P10636 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 3/20 0.47
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NOS3 P29474 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47

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
SCHEMBL2017201 1.00 PTGS2 (0.53) PTGS2CA12CA1CA2CA7
SCHEMBL1405603 0.88 CA1 (0.65) PTGS2CA12CA1CA2CA7
SCHEMBL1405602 0.88 CA1 (0.65) PTGS2CA12CA1CA2CA7
SCHEMBL3223 0.85
SCHEMBL10598384 0.83 CA1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL27088448 0.83 CA1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL20913241 0.83 CA1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL28139275 0.83 CA1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL28768515 0.83 CA1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL21242229 0.81 KMT2A (0.57) PTGS2CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US claimed
EP-2177522-B1 NOVEL CARBAPENEM DERIVATIVES XUANZHU PHARMA CO LTD (CN) 2013-09-04 EP claimed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US claimed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
CN-111556872-B Synthesis of borate derivatives and uses thereof 梅琳塔治疗公司 2024-05-10 CN disclosed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 CN disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
CN-111566113-B Macrocyclic compounds and uses thereof 哈佛大学的校长及成员们 2024-01-09 CN disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 EP disclosed
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2023-07-06 US disclosed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US disclosed
US-5463062-A Inhibitors of glucose-6-phosphatase system HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0672660-A2 Substituted cyclohexanol-esters, their use to treat illnesses and pharmaceutical preparations HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed
EP-0671392-A1 Substituted propane derivatives, process for their preparation and use of the compounds for the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-13 EP disclosed
EP-0620225-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-10-19 EP disclosed
EP-0587088-A1 Derivatives of substituted cyclohexane, their process of preparation and their application with the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-16 EP disclosed
US-3956219-A DIVINYLBENZENE ELI LILLY AND COMPANY (US) 1976-05-11 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 (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-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PTGS2 1199/4885CA12 4859/4885CA1 4724/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 PTGS2 3041/4885CA12 1101/4885CA1 1463/4885

“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.