SCHEMBL2861393

SCHEMBL2861393

OB(O)c1cc2cc(F)ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MGLL Q99685 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
APP P05067 1/20 0.38
ATM Q13315 1/20 0.36
PGR P06401 2/20 0.35
PLAU P00749 1/20 0.35
CHRNA7 P36544 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL1601506 0.82 HSD17B10 (0.47) TDP1KDM4EMGLLHSD17B10CA12
SCHEMBL1602638 0.80 KDM4E (0.49) TDP1KDM4EMGLLHSD17B10TP53
SCHEMBL31416604 0.77 KDM4E (0.58) TDP1KDM4EMGLLHSD17B10CA12
SCHEMBL29958092 0.77 KDM4E (0.58) TDP1KDM4EMGLLHSD17B10CA12
SCHEMBL7309893 0.77 KDM4E (0.58) TDP1KDM4EMGLLHSD17B10CA12
SCHEMBL155365 0.77 KDM4E (0.58) TDP1KDM4EMGLLHSD17B10CA12
SCHEMBL2476800 0.77 KDM4E (0.58) TDP1KDM4EMGLLHSD17B10CA12
SCHEMBL8037247 0.74 CDK9 (0.50) CA12CA1CA2CA9CHRM2
SCHEMBL147973 0.74 KDM4E (1.00) TDP1KDM4EMGLLHSD17B10CA12
SCHEMBL746805 0.73 KDM4E (0.53) TDP1KDM4EMGLLHSD17B10CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709373-A2 HETEROCYCLIC COMPOUNDS FOR IMAGING AGGREGATED TAU IN TAUOPATHIES University of Pittsburgh - Of the Commonwealth System of Higher Education (US) 2026-03-18 EP disclosed
WO-2024233875-A2 HETEROCYCLIC COMPOUNDS FOR IMAGING AGGREGATED TAU IN TAUOPATHIES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-11-14 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2661431-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2018-07-11 EP disclosed
EP-2681207-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2016-12-28 EP disclosed
CN-103459382-B For suppressing the heterocyclic compound of PASK 拜奥埃内杰尼克斯公司 2016-06-29 CN disclosed
CN-103391932-B For suppressing the heterogeneous ring compound of PASK BIOENERGENIX (US) 2015-10-14 CN disclosed
US-9073902-B2 Substituted quinoxaline carboxylic acid compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2015-07-07 US disclosed
US-8916561-B2 Substituted quinoxaline compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-23 US disclosed
US-8916561-B2 Substituted quinoxaline compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-23 US disclosed
US-20120220589-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-08-30 US disclosed
WO-2012094462-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-07-12 WO disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 (4 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-20120220589-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 TDP1 2483/4885KDM4E 3115/4885MGLL 3613/4885
US-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TDP1 3905/4885KDM4E 2531/4885MGLL 4654/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 TDP1 4093/4885KDM4E 2430/4885MGLL 4782/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TDP1 3905/4885KDM4E 2531/4885MGLL 4654/4885

“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.