SCHEMBL505351

SCHEMBL505351

N#Cc1ccc(Oc2ccc(C=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.53
PARP15 Q460N3 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
IL18 Q14116 1/20 0.51
PARP3 Q9Y6F1 1/20 0.50
CYP19A1 P11511 1/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2A6 P11509 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL7047 0.87 EGFR (0.52) KDM4ELMNAMAPTMEN1KMT2A
Water SCHEMBL29120229 0.87 EGFR (0.52) KDM4ELMNAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL28598774 0.85 EGFR (0.50) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL20032249 0.83 PARP15 (0.52) PARP10PARP15PARP2KDM4ELMNA
SCHEMBL10064744 0.83 PARP15 (0.52) PARP10PARP15PARP2KDM4ELMNA
SCHEMBL4104432 0.83 CYP19A1 (0.47) PARP10PARP15PARP2KDM4ELMNA
SCHEMBL3163442 0.83 PGR (0.47) PARP10KDM4ELMNAPARP3CYP19A1
SCHEMBL1663469 0.82 PARP10 (0.65) PARP10KDM4ELMNAMAPTPOLB
SCHEMBL7041250 0.82 PARP15 (0.63) PARP10PARP15PARP2KDM4ELMNA
SCHEMBL5050902 0.82 PARP10 (0.65) PARP10KDM4ELMNAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38425-E1 ANTICONVULSANTS ADMINISTERED ORALLLY UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES, INC. (CA) 2004-02-10 US claimed
EP-0836591-B1 SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME UNIV SASKATCHEWAN (CA) 2001-09-26 EP claimed
US-5741818-A ANTICONVULSANTS UNIVERSITY OF SASKATCHEWAN (CA) 1998-04-21 US claimed
WO-2024189504-A1 BROAD - SPECTRUM ANTI VIRAL COMPOUNDS FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) 2024-09-19 WO disclosed
EP-3544972-B1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER (US) 2023-04-26 EP disclosed
CN-110234638-B Heteroaryl phenoxy benzamide KAPPA opioid ligands 辉瑞大药厂 2022-10-21 CN disclosed
US-11142527-B2 Dihydropyrimidine compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-10-12 US disclosed
US-11142527-B2 Dihydropyrimidine compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-10-12 US disclosed
CN-109111451-B Dihydropyrimidine compound and application thereof in medicine 广东东阳光药业有限公司 2020-08-11 CN disclosed
US-20200115381-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE NORTH & SOUTH BROTHER PHARMACY INVESTMENT COMPANY LIMITED (CN) 2020-04-16 US disclosed
US-20200115381-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE NORTH & SOUTH BROTHER PHARMACY INVESTMENT COMPANY LIMITED (CN) 2020-04-16 US disclosed
CN-1305852-C Diaryl ethers as opioid receptor antagonists LILLY CO ELI (US) 2007-03-21 CN disclosed
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 US disclosed
CN-1681498-A Diaryl ethers as opioid receptor antagonist LILLY CO ELI (US) 2005-10-12 CN disclosed
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
EP-1435947-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER Ortho-McNeil Pharmaceutical, Inc. (US) 2004-07-14 EP disclosed
US-20040091530-A1 Dosage forms for oral admistration resulting in a maximum secretagogue plasma concentration, Cmax, less than 80% Cmax of that when an equal dose is administered in an immediate release form; osmotic tablet of a asymetric membrane; 6 hours AM ENDE MARY T (US) 2004-05-13 US disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHOMCNEIL PHARMACEUTICAL, INC. 2003-09-18 US disclosed
WO-2003032984-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDSI/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) 2003-04-24 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 (4 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-20200115381-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE DPYD, SLC10A1, DHODH PARP10 3483/4885PARP15 2534/4885PARP2 3081/4885
US-11142527-B2 Dihydropyrimidine compounds and uses thereof in medicine DPYD, SLC10A1, DHODH PARP10 3483/4885PARP15 2534/4885PARP2 3081/4885
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, TMBIM6, CDS2 PARP10 3236/4885PARP15 2231/4885PARP2 2027/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 PARP10 2434/4885PARP15 4274/4885PARP2 4856/4885

“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.