SCHEMBL841887

SCHEMBL841887

CCOC(=O)c1noc(C2CC2)c1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CACNA1F O60840 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
CACNA1C Q13936 2/20 0.36
TDP2 O95551 2/20 0.36
MLYCD O95822 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.35
PDE4A P27815 1/20 0.35
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
USP2 O75604 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
SCHEMBL862741 0.85 HTR2C (0.39) HTR2CALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL25101414 0.80 MLYCD (0.37) HTR2CALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL436752 0.78 ALDH1A1 (0.48) HTR2CALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL17603822 0.77 ALDH1A1 (0.42) HTR2CALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL21057516 0.76 ALDH1A1 (0.44) ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL17603690 0.73 LMNA (0.42) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL17256500 0.73 SMURF1 (0.48) HTR2CALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL9116428 0.73 ALDH1A1 (0.36) ALDH1A1MLYCDTSHRKDM4EMEN1
SCHEMBL4359169 0.73 TARBP2 (0.40) ALDH1A1TSHRKDM4EMEN1MAPT
SCHEMBL29044483 0.73 ALDH1A1 (0.39) HTR2CALDH1A1CACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 US disclosed
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 US disclosed
US-10428029-B2 Isoxazole carboxamide compounds Epizyme, Inc. (US) 2019-10-01 US disclosed
US-10428029-B2 Isoxazole carboxamide compounds Epizyme, Inc. (US) 2019-10-01 US disclosed
EP-3193603-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. (US) 2017-07-26 EP disclosed
US-20170190676-A1 Isoxazole Carboxamide Compounds Epizyme, Inc. (US) 2017-07-06 US disclosed
US-20170190676-A1 Isoxazole Carboxamide Compounds Epizyme, Inc. (US) 2017-07-06 US disclosed
US-20170190676-A1 Isoxazole Carboxamide Compounds Epizyme, Inc. (US) 2017-07-06 US disclosed
WO-2016040498-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. (US) 2016-03-17 WO disclosed
US-8143243-B2 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylcarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[2-(4-morpholinylcarbonyl)phenyl]-, 1,1-dimethylethyl ester BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
EP-2396329-A1 Compounds for the treatment of hepatitis c Bristol-Myers Squibb Company (US) 2011-12-21 EP disclosed
WO-2010093359-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-19 WO disclosed
WO-2010093359-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-19 WO disclosed
US-20090275561-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 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 (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-10428029-B2 Isoxazole carboxamide compounds SMYD3, SMYD2, SNRPD3 HTR2C 1075/4885ALDH1A1 1259/4885CACNA1F 2697/4885
US-20170190676-A1 Isoxazole Carboxamide Compounds SMYD3, SMYD2, SNRPD3 HTR2C 1075/4885ALDH1A1 1259/4885CACNA1F 2697/4885
US-20090275561-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 HTR2C 3167/4885ALDH1A1 163/4885CACNA1F 4845/4885
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SNRPD3 HTR2C 1119/4885ALDH1A1 1132/4885CACNA1F 2706/4885

“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.