SCHEMBL114595

SCHEMBL114595

O=C(O)c1c(Cl)cncc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
P2RX7 Q99572 3/20 0.50
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
TP53 P04637 1/20 0.48
XBP1 P17861 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
KMT2A Q03164 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE4D Q08499 1/20 0.47
FOLH1 Q04609 1/20 0.47
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
PTGER1 P34995 5/20 0.46

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
SCHEMBL15132065 0.89 CA9 (0.51) HPGDRXRARXRBP2RX7MEN1
SCHEMBL15373872 0.86 P2RX7 (0.46) HPGDRXRARXRBP2RX7MEN1
SCHEMBL10101806 0.86 EGFR (0.51) HPGDRXRARXRBP2RX7PDE4D
SCHEMBL113440 0.85 P2RX7 (0.45) HPGDRXRARXRBP2RX7MEN1
SCHEMBL15065246 0.80 PARP10 (0.51) RXRAP4HTMAOC3
SCHEMBL15088138 0.77 NPC1 (0.50) HPGDRXRARXRBP2RX7NPC1
SCHEMBL1843931 0.77 MEN1 (0.56) HPGDRXRARXRBMEN1NPC1
SCHEMBL6257319 0.76 ITGB1 (0.40) NPC1NFKB1RAB9ANFKB2KMT2A
SCHEMBL7288458 0.76 CLCN2 (0.60) HPGDRXRARXRBMEN1NPC1
SCHEMBL6128444 0.75 PDE4A (0.47) MEN1TP53KMT2APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-9688644-B2 Synthesis of Tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-27 US disclosed
US-9688644-B2 Synthesis of Tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-27 US disclosed
US-9073829-B2 Synthesis of tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-07-07 US disclosed
US-8828988-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
WO-2014077401-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2014-05-22 WO disclosed
US-20130296279-A1 SUBSTITUTED TETRACYCLINES CONCERT PHARMACEUTICALS INC. 2013-11-07 US disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
WO-2012065028-A2 SUBSTITUTED TETRACYCLINES CONCERT PHARMACEUTICALS INC. (US) 2012-05-18 WO disclosed
US-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 US disclosed
EP-2424834-A2 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO President and Fellows of Harvard College (US) 2012-03-07 EP disclosed
WO-2010126607-A2 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-11-04 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-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO TET1, TET3, TYMS HPGD 1380/4885RXRA 2402/4885RXRB 2934/4885
US-20130296279-A1 SUBSTITUTED TETRACYCLINES TET1, TET3, SLC10A2 HPGD 3051/4885RXRA 3309/4885RXRB 3911/4885
US-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 HPGD 2983/4885RXRA 1581/4885RXRB 2160/4885

“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.