SCHEMBL6851980

SCHEMBL6851980

O=Cc1ccc(-c2nnco2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.58
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
TLR8 Q9NR97 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL17694561 0.83 NOTUM (0.78) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL6876881 0.82 NOTUM (0.51) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL6876871 0.82 NOTUM (0.51) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL2610163 0.81 NOTUM (0.75) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL27920486 0.81 NOTUM (0.58) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL1174549 0.79 NOTUM (0.58) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL6852556 0.78 NOTUM (0.55) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL6854287 0.78 NOTUM (0.55) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL19219013 0.75 NPC1 (0.52) KDM4EALDH1A1TP53MAPTTSHR
SCHEMBL17824500 0.75 NOTUM (0.58) NOTUMKDM4EALDH1A1LMNATLR8

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
EP-3612188-B1 HETEROBIVALENT LIGANDS SUITABLE FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE T C ISTANBUL MEDIPOL UNIV (TR) 2023-12-13 EP disclosed
EP-3230254-B1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2021-09-22 EP disclosed
EP-3230254-B1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2021-09-22 EP disclosed
US-11072606-B2 Compositions and methods for treating diseases and conditions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-07-27 US disclosed
US-11072606-B2 Compositions and methods for treating diseases and conditions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-07-27 US disclosed
CN-107207407-B Compositions and methods for treating diseases and disorders 高等教育联邦系统-匹兹堡大学 2020-12-01 CN disclosed
US-20200087294-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-03-19 US disclosed
US-20200087294-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-03-19 US disclosed
US-10487076-B2 Compositions and methods for treating diseases and conditions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-11-26 US disclosed
US-10487076-B2 Compositions and methods for treating diseases and conditions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-11-26 US disclosed
US-20180134693-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-17 US disclosed
US-20180134693-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-17 US disclosed
EP-3230254-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS University of Pittsburgh - Of the Commonwealth System of Higher Education (US) 2017-10-18 EP disclosed
WO-2016094659-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-06-16 WO disclosed
WO-2016094659-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-06-16 WO disclosed
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 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 (5 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-11072606-B2 Compositions and methods for treating diseases and conditions C1S, SLC10A1, C1R NOTUM 2174/4885KDM4E 4401/4885ALDH1A1 1803/4885
US-10487076-B2 Compositions and methods for treating diseases and conditions C1S, SLC10A1, C1R NOTUM 2085/4885KDM4E 4400/4885ALDH1A1 1801/4885
US-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 NOTUM 2862/4885KDM4E 18/4885ALDH1A1 2109/4885
US-20200087294-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS C1S, SLC10A1, C1R NOTUM 2174/4885KDM4E 4401/4885ALDH1A1 1803/4885
US-20180134693-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS C1S, SLC10A1, C1R NOTUM 2085/4885KDM4E 4400/4885ALDH1A1 1801/4885

“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.