SCHEMBL1124055

SCHEMBL1124055

O=Cc1ccc(-c2cnco2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.58
LMNA P02545 2/20 0.58
NOTUM Q6P988 1/20 0.58
GAA P10253 1/20 0.58
PTK2 Q05397 1/20 0.57
KEAP1 Q14145 1/20 0.53
LTA4H P09960 1/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP2D6 P10635 3/20 0.46
CYP3A4 P08684 2/20 0.46
NPC1 O15118 3/20 0.45
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAP4K4 O95819 1/20 0.43
IMPDH2 P12268 1/20 0.43

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
SCHEMBL10768177 0.83 PKM (0.78) PKMLMNANOTUMGAAPTK2
SCHEMBL6878720 0.82 LMNA (0.51) PKMLMNANOTUMGAAPTK2
SCHEMBL6878713 0.82 LMNA (0.51) PKMLMNANOTUMGAAPTK2
SCHEMBL6854088 0.78 PKM (0.55) PKMLMNANOTUMGAAPTK2
SCHEMBL2429110 0.77 PKM (0.49) PKMLMNANOTUMGAAPTK2
SCHEMBL14761934 0.77 CYP4F2 (0.42) PKMLMNANOTUMGAAPTK2
SCHEMBL6852645 0.74 KEAP1 (0.63) PKMLMNANOTUMGAAPTK2
SCHEMBL6851821 0.74 PKM (0.50) PKMLMNANOTUMGAAPTK2
SCHEMBL6852296 0.74 PKM (0.50) PKMLMNANOTUMGAAPTK2
SCHEMBL6852294 0.74 PKM (0.50) PKMLMNANOTUMGAAPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US 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
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-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
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
EP-1956013-B1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO LTD (JP) 2016-04-13 EP disclosed
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-09-02 US disclosed
US-6734191-B2 PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) ANORMED, INC. (CA) 2004-05-11 US disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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
EP-1317451-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-02-06 US disclosed
WO-2002034745-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-05-02 WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 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 (7 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 PKM 3072/4885LMNA 559/4885NOTUM 2174/4885
US-10487076-B2 Compositions and methods for treating diseases and conditions C1S, SLC10A1, C1R PKM 3093/4885LMNA 538/4885NOTUM 2085/4885
US-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 PKM 1340/4885LMNA 4303/4885NOTUM 2862/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 PKM 3149/4885LMNA 4844/4885NOTUM 2953/4885
US-20200087294-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS C1S, SLC10A1, C1R PKM 3072/4885LMNA 559/4885NOTUM 2174/4885
US-20180134693-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS C1S, SLC10A1, C1R PKM 3093/4885LMNA 538/4885NOTUM 2085/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 PKM 3149/4885LMNA 4844/4885NOTUM 2953/4885

“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.