SCHEMBL6122034

SCHEMBL6122034

NCCOc1ccc(C(N)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 14/20 0.70
▸ PARP15 Q460N3 6/20 0.57
▸ PARP14 Q460N5 2/20 0.57
▸ PARP4 Q9UKK3 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ PARP16 Q8N5Y8 1/20 0.57
▸ PARP11 Q9NR21 1/20 0.57
▸ PARP2 Q9UGN5 3/20 0.56
▸ MAOB P27338 2/20 0.54
▸ AOC3 Q16853 1/20 0.54
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ PARP1 P09874 1/20 0.53
▸ ESR1 P03372 1/20 0.53
▸ CYP19A1 P11511 1/20 0.53
▸ ESR2 Q92731 1/20 0.53
▸ TBXAS1 P24557 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.52
▸ PRSS1 P07477 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
Hydrochloric Acid SCHEMBL12502964 0.98 PARP10 (0.68) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL27987025 0.90 PARP10 (0.68) PARP10PARP15PARP14PARP4ALDH1A1
Benzamide SCHEMBL1567389 0.87 PARP10 (0.74) PARP10PARP15PARP14MAOBPARP1
SCHEMBL4687508 0.86 PARP10 (0.68) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL452572 0.84 PKM (0.69) PARP10ALDH1A1ESR1CYP19A1ESR2
SCHEMBL77571 0.84 PARP10 (0.70) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL28067530 0.83 PARP10 (0.68) PARP10PARP15PARP14PARP4ALDH1A1
Water SCHEMBL5055924 0.82 PARP10 (0.68) PARP10PARP15PARP14PARP4ALDH1A1
Hydrochloric Acid SCHEMBL2234716 0.82 PKM (0.67) PARP10ALDH1A1ESR1CYP19A1ESR2
SCHEMBL3085074 0.82 PARP10 (0.68) PARP10PARP15PARP14PARP4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-53050330-A — — None — — JP disclosed
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 — — US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 — — US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 — — US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 — — EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 — — WO disclosed
WO-2012068196-A1 BIS HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 — — WO disclosed
US-4503067-A HYPOTENSIVE, ANGINA PECTORIS BOEHRINGER MANNHEIM GMBH (DE) 1985-03-05 — — US disclosed
US-4165384-A ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS AKTIEBOLAGET HASSLE (SE) 1979-08-21 — — US disclosed
US-4147869-A ADRENERGIC BLOCKING AGENTS FOR TREATMENT OF ANGINA PECTORIS, ARRHYTHMIA AND HYPERTENSION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1979-04-03 — — US disclosed
US-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 — — US disclosed
US-4089865-A Certain thiazole compounds SYNTEX (U.S.A.) INC. (US) 1978-05-16 — — US disclosed
JP-S5350330-A CONTROLLING AGENTS AGAINST BACTERIAL LEAF BLIGHT ON RICE PLANTS MITSUI TOATSU CHEM INC 1978-05-08 — — JP disclosed
US-4081447-A ADRENERGIC BLOCKING AGENTS ABBOTT LABORATORIES (US) 1978-03-28 — — US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 — — US disclosed
US-4001421-A THIAZOLE CARDIOVASCULAR AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-04 — — US disclosed
US-3940407-A β-Adrenergic blocking agents in the 1,2,3-thiadiazole series SYNTEX (U.S.A.) INC. (US) 1976-02-24 — — 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C PARP10 1172/4885PARP15 2196/4885PARP14 859/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C PARP10 1090/4885PARP15 1858/4885PARP14 788/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C PARP10 1172/4885PARP15 2196/4885PARP14 859/4885

“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.

Send feedback