SCHEMBL1752352

SCHEMBL1752352

NC(=O)COc1ccccc1C=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.72
ALDH1A1 P00352 8/20 0.63
HTT P42858 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HPGD P15428 1/20 0.63
KDM4E B2RXH2 3/20 0.57
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SRC P12931 1/20 0.47
KMT2A Q03164 5/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.45
RAD52 P43351 1/20 0.45
MAPT P10636 3/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43

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
SCHEMBL31428467 1.00 PTGDR2 (0.72) PTGDR2ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL2558715 0.84 ALDH1A1 (0.67) PTGDR2ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL354835 0.84 PTGDR2 (1.00) PTGDR2ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL14455032 0.83 ALDH1A1 (0.52) PTGDR2ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL5362778 0.82 HTT (0.71) ALDH1A1HTTSMN1; SMN2KDM4ELMNA
SCHEMBL2561022 0.82 PTGDR2 (0.62) PTGDR2ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL9695894 0.82 PTGDR2 (0.72) PTGDR2ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL1287954 0.82 PTGDR2 (0.72) PTGDR2ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL2663792 0.80 GCGR (0.50) PTGDR2ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL9979665 0.80 PTGDR2 (0.69) PTGDR2ALDH1A1HTTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2021-03-11 US disclosed
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2020-09-17 US disclosed
EP-3539962-A1 TETRACYCLIC BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2019-09-18 EP disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2970330-B1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2019-04-17 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20180298003-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-18 US disclosed
US-10035800-B2 Substituted 1,4,10-triazadibenzo[cd,f]azulenes, substituted 1,4,5,10-tetraazadibenzo[cd,f]azulenes and substituted 1,4,5,7,10-pentaazadibenzo[cd,f]azulenes as bromodomain inhibitors ABBVIE INC. (US) 2018-07-31 US disclosed
US-20080306127-A9 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2008-12-11 US disclosed
WO-2008060569-A1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2008-05-22 WO disclosed
US-20070161690-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
EP-1713799-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM, LLC (BM) 2006-10-25 EP disclosed
WO-2005077124-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2005-08-25 WO disclosed
EP-1432686-B1 TETRAHYDROISOCHINOLINES, THEIR PRODUCTION AND THE USE THEREOF AS ANALGESICS BAYER HEALTHCARE AG (DE) 2005-06-29 EP disclosed
US-20050049240-A1 Tetrahydroisochinolines, their production and the use thereof as analgesics BAYER HEALTHCARE AG (DE) 2005-03-03 US disclosed
EP-1432686-A1 TETRAHYDROISOCHINOLINES, THEIR PRODUCTION AND THE USE THEREOF AS ANALGESICS Bayer HealthCare AG (DE) 2004-06-30 EP disclosed
WO-2003029221-A1 TETRAHYDROISOCHINOLINES, THEIR PRODUCTION AND THE USE THEREOF AS ANALGESICS BAYER HEALTHCARE AG (DE) 2003-04-10 WO disclosed
US-5017586-A 5-dialkylaminomethyl-2-furanomethanol derivatives having anti-hypertensive properties GEROT-PHARMAZEUTIKA GESELLSCHAFT M.B.H. (AT) 1991-05-21 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 (7 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-10035800-B2 Substituted 1,4,10-triazadibenzo[cd,f]azulenes, substituted 1,4,5,10-tetraazadibenzo[cd,f]azulenes and substituted 1,4,5,7,10-pentaazadibenzo[cd,f]azulenes as bromodomain inhibitors BRD1, BRD3, BRD4 PTGDR2 201/4885ALDH1A1 332/4885HTT 3655/4885
US-20180298003-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 PTGDR2 402/4885ALDH1A1 2163/4885HTT 1423/4885
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 PTGDR2 402/4885ALDH1A1 2163/4885HTT 1423/4885
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 PTGDR2 402/4885ALDH1A1 2163/4885HTT 1423/4885
US-20080306127-A9 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCLAF1 PTGDR2 2835/4885ALDH1A1 3755/4885HTT 1713/4885
US-20050049240-A1 Tetrahydroisochinolines, their production and the use thereof as analgesics OPRL1, OPRK1, TPMT PTGDR2 193/4885ALDH1A1 1251/4885HTT 8/4885
US-20070161690-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCLAF1 PTGDR2 2835/4885ALDH1A1 3755/4885HTT 1713/4885

“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.