SCHEMBL4128579

SCHEMBL4128579

COc1cc(C)ncc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.43
SLC6A2 P23975 7/20 0.42
SLC6A4 P31645 7/20 0.42
SLC6A3 Q01959 5/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.38
DHFR P00374 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
ACHE P22303 2/20 0.36
PDE10A Q9Y233 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
DYRK1A Q13627 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
SCHEMBL1054720 0.83 ALDH1A1 (0.46) UHRF1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL4142773 0.81 UHRF1 (0.48) UHRF1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL14183062 0.79 NNMT (0.47) ALDH1A1DHFRCYP2A6S1PR1ACHE
SCHEMBL19088241 0.79 ALDH1A1 (0.38) ALDH1A1DHFRS1PR1ACHEPDE10A
SCHEMBL25457011 0.79 UHRF1 (0.46) UHRF1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL24501189 0.79 POLQ (0.45) UHRF1SLC6A2SLC6A4SLC6A3DHFR
SCHEMBL1425419 0.77 S1PR1 (0.42) ALDH1A1MAPTDHFRS1PR1PDE10A
SCHEMBL91466 0.77 NOS3 (0.58) ALDH1A1DHFRPDE10ATAAR1NOS3
SCHEMBL18348256 0.77 NQO2 (0.37) ALDH1A1MAPTDHFRS1PR1ACHE
SCHEMBL30013468 0.77 S1PR1 (0.42) ALDH1A1MAPTDHFRS1PR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230069804-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. 2023-03-02 US disclosed
WO-2023014907-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-10590130-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-17 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-20190100520-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2019-04-04 US disclosed
US-20180118694-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2018-05-03 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
WO-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 WO disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 WO disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 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 (11 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 UHRF1 4700/4885SLC6A2 1405/4885SLC6A4 1017/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 UHRF1 4700/4885SLC6A2 1405/4885SLC6A4 1017/4885
US-20180118694-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S UHRF1 2616/4885SLC6A2 2230/4885SLC6A4 2559/4885
US-20190100520-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 UHRF1 2163/4885SLC6A2 3333/4885SLC6A4 3965/4885
US-10590130-B2 Chemical compounds MKI67, CCNI, MCL1 UHRF1 2163/4885SLC6A2 3333/4885SLC6A4 3965/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 UHRF1 4700/4885SLC6A2 1405/4885SLC6A4 1017/4885
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP UHRF1 3557/4885SLC6A2 396/4885SLC6A4 214/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 UHRF1 2749/4885SLC6A2 2606/4885SLC6A4 2442/4885
US-20230069804-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING RBM17, SF3B1, SF3B5 UHRF1 1001/4885SLC6A2 4759/4885SLC6A4 4715/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C UHRF1 4592/4885SLC6A2 384/4885SLC6A4 230/4885
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 UHRF1 3679/4885SLC6A2 3914/4885SLC6A4 3507/4885

“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.