SCHEMBL368304

SCHEMBL368304

O=C(O)c1cccc2cc(O)cnc12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.51
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
PSMD14 O00487 1/20 0.46
CDC25B P30305 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL30380178 0.85 PARP1 (0.69) PARP1PSMD14
SCHEMBL26523343 0.85 PARP1 (0.53) PARP1PSMD14KDM4E
SCHEMBL10464539 0.83 PSMD14 (0.67) PARP1ALDH1A1LMNAALOX12PSMD14
SCHEMBL17802100 0.81 PARP1 (0.50) PARP1ALDH1A1LMNAALOX12PSMD14
SCHEMBL9355371 0.81 PARP1 (0.74) PARP1ALDH1A1PSMD14KDM4E
SCHEMBL1612627 0.81 PARP1 (0.50) PARP1ALDH1A1LMNAALOX12PSMD14
SCHEMBL343891 0.81 PSMD14 (0.51) PARP1ALDH1A1LMNAPSMD14KDM4E
SCHEMBL28888906 0.78 PARP1 (0.55) PARP1ALDH1A1LMNAPSMD14KDM4E
SCHEMBL28076889 0.77 PARP1 (0.56) PARP1ALDH1A1LMNAPSMD14KDM4E
SCHEMBL11429773 0.76 ALDH1A1 (0.58) PARP1ALDH1A1LMNAALOX12CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651647-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDEA4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP claimed
WO-2005010001-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDEA4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO claimed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
CN-116134026-A Triazole derivatives and their use as tankyrase inhibitors 奥斯陆大学国家医院 2023-05-16 CN disclosed
EP-4175952-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS Oslo Universitetssykehus HF (NO) 2023-05-10 EP disclosed
WO-2022008896-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS. GOLDING, LOUISE (GB) 2022-01-13 WO disclosed
WO-2022008896-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS. GOLDING, LOUISE (GB) 2022-01-13 WO disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
US-7153870-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-12-26 US disclosed
EP-1651647-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDEA4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
WO-2005010001-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDEA4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020626-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-01-27 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-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR PARP1 1472/4885ALDH1A1 2476/4885LMNA 1966/4885
US-20050020626-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PARP1 246/4885ALDH1A1 284/4885LMNA 1730/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PARP1 1380/4885ALDH1A1 753/4885LMNA 1956/4885

“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.