SCHEMBL950437

SCHEMBL950437

O=C(O)c1ccc2ccc(O)cc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.60
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
TSHR P16473 3/20 0.45
ALOX15 P16050 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ACMSD Q8TDX5 1/20 0.45
HSD17B14 Q9BPX1 1/20 0.42
CNR2 P34972 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 3/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41

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
SCHEMBL2211860 0.86 MGAM (0.58) MGAMKMT2AKDM4EALDH1A1MEN1
SCHEMBL12405037 0.83 MGAM (0.63) MGAMKMT2AKDM4EALDH1A1MEN1
SCHEMBL9220609 0.81 MGAM (0.61) MGAMKMT2AKDM4EALDH1A1MEN1
Quinaldic Acid SCHEMBL22449356 0.81 MGAM (0.85) MGAMKMT2AKDM4EALDH1A1MEN1
SCHEMBL9319235 0.80 MGAM (0.55) MGAMKMT2AKDM4EALDH1A1MEN1
SCHEMBL28278979 0.80 MGAM (0.60) MGAMKMT2AKDM4EALDH1A1MEN1
SCHEMBL23722355 0.78 MGAM (0.58) MGAMKMT2AKDM4EALDH1A1MEN1
SCHEMBL22777233 0.78 MGAM (0.58) MGAMKMT2AKDM4EALDH1A1MEN1
SCHEMBL3365551 0.78 MGAM (0.58) MGAMKMT2AKDM4EALDH1A1MEN1
SCHEMBL5623383 0.78 ALDH1A1 (0.59) MGAMKMT2AKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 WO disclosed
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 WO disclosed
EP-2970125-B1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2018-07-18 EP disclosed
US-9956213-B2 Substituted naphthyridine and quinoline compounds as MAO inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-05-01 US disclosed
US-20170312263-A1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS DART NEUROSCIENCE LLC 2017-11-02 US disclosed
US-9675605-B2 Substituted naphthyridine and quinoline compounds as MAO inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-06-13 US disclosed
US-20160074377-A1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS DART NEUROSCIENCE, LLC 2016-03-17 US disclosed
EP-2970125-A1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS Dart Neuroscience (Cayman) Ltd (KY) 2016-01-20 EP disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
CN-1649885-A Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2005-08-03 CN disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
EP-0992524-B1 Process for preparing polyether polyols BAYER AG (DE) 2004-02-18 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
EP-0992524-A2 Process for preparing polyether polyols BAYER AG (DE) 2000-04-12 EP 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 (5 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-20160074377-A1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS MAOB, MAOA, PNMT MGAM 1501/4885KMT2A 881/4885KDM4E 1441/4885
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 MGAM 3110/4885KMT2A 697/4885KDM4E 1512/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP MGAM 370/4885KMT2A 3702/4885KDM4E 3407/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS MGAM 138/4885KMT2A 4457/4885KDM4E 1006/4885
US-20170312263-A1 SUBSTITUTED NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AS MAO INHIBITORS MAOB, MAOA, PNMT MGAM 1475/4885KMT2A 937/4885KDM4E 1487/4885

“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.