SCHEMBL4548610

SCHEMBL4548610

CC(C)(C)c1ccc2nc(C(C)(C)C)cnc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
SCN10A Q9Y5Y9 9/20 0.39
KCNH2 Q12809 1/20 0.39
METAP2 P50579 1/20 0.37
TSHR P16473 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALOX5AP P20292 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL20043209 0.93 PDE10A (0.41) PDE10ASCN10AKCNH2METAP2TSHR
SCHEMBL20047407 0.88 PDE10A (0.39) PDE10ASCN10AKCNH2METAP2TRPV1
SCHEMBL12173605 0.86 KIF11 (0.42) PDE10ATSHRTRPV1ALDH1A1HPGD
SCHEMBL23502522 0.85 MAPK1 (0.36) PDE10ASCN10AALDH1A1NPC1RAB9A
SCHEMBL10220534 0.83 NQO2 (0.48) ALDH1A1TDP1NPC1RAB9AKDM4E
SCHEMBL21161268 0.82 PDE10A (0.38) PDE10ASCN10AKCNH2METAP2TRPV1
SCHEMBL16232299 0.81 PDE10A (0.41) PDE10ASCN10AKCNH2METAP2TSHR
SCHEMBL21161311 0.80 PDE10A (0.32) PDE10ASCN10A
SCHEMBL12755253 0.80 PDE10A (0.40) PDE10ASCN10AKCNH2METAP2TRPV1
SCHEMBL3662373 0.80 ALDH1A1 (0.52) PDE10ASCN10AKCNH2METAP2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141569-A1 FLUORESCENT DYE, AND PREPARATION METHOD AND USES THEREOF FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2023-05-11 US disclosed
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-06 US disclosed
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 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 (9 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 PDE10A 1004/4885SCN10A 3305/4885KCNH2 4528/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 PDE10A 1004/4885SCN10A 3305/4885KCNH2 4528/4885
US-20230141569-A1 FLUORESCENT DYE, AND PREPARATION METHOD AND USES THEREOF DNASE1, DNA2, RNGTT PDE10A 3329/4885SCN10A 4483/4885KCNH2 4604/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 PDE10A 801/4885SCN10A 2962/4885KCNH2 4411/4885
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN PDE10A 3370/4885SCN10A 4548/4885KCNH2 4507/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET PDE10A 2396/4885SCN10A 4439/4885KCNH2 4774/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 PDE10A 1004/4885SCN10A 3305/4885KCNH2 4528/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 PDE10A 801/4885SCN10A 2962/4885KCNH2 4411/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 PDE10A 4038/4885SCN10A 3950/4885KCNH2 4025/4885

“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.