SCHEMBL3759300

SCHEMBL3759300

[c]1ncccc1-c1ccon1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL4909130 0.73
SCHEMBL4794205 0.73 CYP1A2 (0.30) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL2340955 0.72
SCHEMBL467328 0.71 MDM2 (0.35) MDM2NPC1RAB9AKDM4EMAPT
SCHEMBL5503401 0.69 CYP1A2 (0.33) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL3082762 0.68 NPC1 (0.42) MDM2NPC1RAB9AKDM4EMAPT
SCHEMBL155358 0.68 KDM4E (0.52) NPC1RAB9AKDM4EMAPTCYP1A2
SCHEMBL1925074 0.68 GOT1 (0.33)
SCHEMBL223116 0.68 CYP1A2 (0.32) NPC1RAB9AKDM4ECYP1A2CYP2D6
SCHEMBL9199874 0.68 SCN9A (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166134-B Pyrrolidone derivatives as formyl peptide 2 receptor agonists 百时美施贵宝公司 2024-06-14 CN claimed
US-20080138282-A1 imaging agents for the cyclooxygenase (COX-2) enzyme using positronemission tomograpy (PET); C11 or F18 radioisotopes; inflammatory, cancer, diabetes, neurodegenerative diseases THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-06-12 US claimed
WO-2005120584-A2 RADIOLABELED ARYLSULFONYL COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-12-22 WO claimed
CN-109715631-B TRAF6 inhibitors 德国亥姆霍兹慕尼黑中心健康与环境研究中心(有限公司) 2022-02-18 CN disclosed
CN-107207741-B Antioxidant-infused ultra-high molecular weight polyethylene 捷迈有限公司 2021-05-11 CN disclosed
CN-105611930-B Spiro quinoxaline derivatives as non-apoptotic regulated cell death inhibitors 亥姆霍兹慕尼黑中心-德国环境与健康研究中心(股份有限公司) 2021-03-02 CN disclosed
CN-107001806-B Sphingosine-1-phosphate receptor modulators for the treatment of cardiopulmonary diseases 斯克利普斯研究院 2020-12-04 CN disclosed
EP-2699561-B1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORP (FI) 2015-06-03 EP disclosed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
EP-2699561-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES Orion Corporation (FI) 2014-02-26 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
WO-2012143599-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORPORATION (FI) 2012-10-26 WO disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
US-20080138282-A1 imaging agents for the cyclooxygenase (COX-2) enzyme using positronemission tomograpy (PET); C11 or F18 radioisotopes; inflammatory, cancer, diabetes, neurodegenerative diseases THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-06-12 US disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
WO-2005120584-A2 RADIOLABELED ARYLSULFONYL COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-12-22 WO 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-20080138282-A1 imaging agents for the cyclooxygenase (COX-2) enzyme using positronemission tomograpy (PET); C11 or F18 radioisotopes; inflammatory, cancer, diabetes, neurodegenerative diseases PTGES2, PTGES, PTGS2 MDM2 1463/4885NPC1 3083/4885RAB9A 4008/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA MDM2 1055/4885NPC1 3855/4885RAB9A 713/4885

“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.