SCHEMBL10131961

SCHEMBL10131961

CNCc1cccc(C(C)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.51
▸ CYP19A1 P11511 1/20 0.50
▸ MAOB P27338 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ IL4I1 Q96RQ9 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL15339206 0.86 MMP13 (0.59) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL805218 0.85 MEP1B (0.59) —
SCHEMBL30444058 0.85 MEP1B (0.59) —
SCHEMBL3335985 0.84 LMNA (0.59) MAOBALDH1A1LMNAIL4I1MAPK1
SCHEMBL2570385 0.84 NOS1 (0.54) NOS1MAOBLOXL2
SCHEMBL22083793 0.84 NOS1 (0.46) NOS1ALDH1A1TSHRCYP3A4KDM4E
SCHEMBL8277397 0.84 SLC7A5 (0.59) NOS1MEN1KMT2ASLC7A5
SCHEMBL8646446 0.84 HDAC1 (0.57) CYP19A1MAOBALDH1A1KMT2ATSHR
SCHEMBL4168117 0.84 NOS1 (0.46) NOS1CYP3A4KDM4EMAPTLOXL2
SCHEMBL5473408 0.82 MAOB (0.54) NOS1MAOBALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024009283-A1 AT2 ANTAGONISTS FOR NON-ADDICTIVE PAIN RELIEF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-01-11 — — WO disclosed
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 — — EP disclosed
WO-2022123462-A1 RADIOLABELLED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2022-06-16 — — WO disclosed
WO-2022118186-A1 SENOTHERAPEUTIC COMPOUND BIONEXA S.R.L. (IT) 2022-06-09 — — WO disclosed
US-20220105194-A1 CONJUGATE COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE ASTELLAS PHARMA INC. (JP) 2022-04-07 — — US disclosed
WO-2021179049-A1 TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS AND COMPOUNDS FOR SAME THE UNIVERSITY OF ADELAIDE (AU) 2021-09-16 — — WO disclosed
WO-2020145228-A1 COMPLEX COMPRISING LIGAND AND CEACAM5 ANTIBODY FAB FRAGMENT アステラス製薬株式会社 2020-07-16 — — WO disclosed
WO-2020145227-A1 COMPLEX COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE アステラス製薬株式会社 2020-07-16 — — WO disclosed
WO-2019008537-A9 MEDICAL COMPOUNDS VERA SALUS RICERCA S.R.L. (IT) 2020-02-20 — — WO disclosed
EP-2480247-B1 NOVEL NPR-B AGONISTS SHIRE ORPHAN THERAPIES GMBH (DE) 2020-02-12 — — EP disclosed
US-7780953-B2 Compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2010-08-24 — — US disclosed
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 — — US disclosed
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 — — US disclosed
EP-1572246-B1 NOVEL COMPOSITIONS OF MAGNETIC PARTICLES COVERED WITH GEM-BISPHOSPHONATE DERIVATIVES GUERBET SA (FR) 2009-02-25 — — EP disclosed
WO-2009020867-A2 IMMUNOMODULATORY PEPTIDES SYNTONIX PHARMACEUTICALS, INC. (US) 2009-02-12 — — WO disclosed
US-20070254831-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG to FcRn BIOGEN HEMOPHILIA INC. 2007-11-01 — — US disclosed
US-20070254831-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG to FcRn BIOGEN HEMOPHILIA INC. 2007-11-01 — — US disclosed
EP-1816136-A1 GPR7-SELECTIVE LIGAND AND USE THEREOF BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-08 — — EP disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 — — US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 — — 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 (3 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-20220105194-A1 CONJUGATE COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE MUC1, CA14, CA13 NOS1 4716/4885CYP19A1 2934/4885MAOB 4752/4885
US-20070254831-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG to FcRn FCGRT, FCGR3B, FCGR1A NOS1 2538/4885CYP19A1 3958/4885MAOB 2935/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 NOS1 2161/4885CYP19A1 630/4885MAOB 2105/4885

“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.

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