SCHEMBL1420439

SCHEMBL1420439

CC1(C)OC(c2ccc3nsnc3c2)=C(Br)C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
KDM4E B2RXH2 3/20 0.33
PTPN11 Q06124 1/20 0.33
EDNRB P24530 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TDO2 P48775 1/20 0.33
PIK3CD O00329 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1420042 0.82 TGFBR1 (0.37) KDM4EALDH1A1TDO2PIK3CDHSD17B10
SCHEMBL1420009 0.71 TXNRD1 (0.37) TXNRD1TXNRD3TXNRD2KDM4EPTPN11
SCHEMBL1420038 0.71 PGR (0.41) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL7005795 0.69 PTGS2 (0.39) KDM4EALDH1A1HPGDRAB9AGAA
SCHEMBL12169183 0.68
SCHEMBL7000674 0.68 PTGS2 (0.48)
SCHEMBL12169206 0.68 NR3C1 (0.32)
SCHEMBL3858998 0.67 PTPN11 (0.58) TXNRD1TXNRD3TXNRD2KDM4EPTPN11
SCHEMBL27465488 0.66
SCHEMBL27484474 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 EP disclosed
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 EP disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 US disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 US disclosed
US-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. 2012-09-13 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
EP-2297133-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 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 (3 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-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A TXNRD1 1023/4885TXNRD3 1523/4885TXNRD2 775/4885
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS PDE12, PDE7A, PDE10A TXNRD1 1023/4885TXNRD3 1523/4885TXNRD2 775/4885
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A TXNRD1 1023/4885TXNRD3 1523/4885TXNRD2 775/4885

“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.