SCHEMBL109573

SCHEMBL109573

NNc1ccc(Br)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
APEX1 P27695 1/20 0.60
GLA P06280 1/20 0.60
TDP1 Q9NUW8 3/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
AKR1C3 P42330 2/20 0.54
AKR1C2 P52895 2/20 0.54
AKR1C4 P17516 1/20 0.54
AKR1C1 Q04828 1/20 0.54
POLB P06746 1/20 0.54
PLA2G1B P04054 1/20 0.54
HPGD P15428 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
METAP2 P50579 2/20 0.53
MPO P05164 1/20 0.50
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49

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
Hydrochloric Acid SCHEMBL15054390 0.98 APEX1 (0.58) KDM4EAPEX1GLATDP1MEN1
Hydrochloric Acid SCHEMBL143713 0.98 APEX1 (0.58) KDM4EAPEX1GLATDP1MEN1
SCHEMBL16632333 0.86 ACLY (0.54) KDM4EAPEX1GLATDP1AKR1C3
Hydrochloric Acid SCHEMBL145407 0.85 ACLY (0.53) KDM4EAPEX1GLATDP1MEN1
SCHEMBL28361711 0.84 APEX1 (0.60) KDM4EAPEX1GLATDP1MEN1
SCHEMBL7544693 0.83 KDM4E (0.59) KDM4EAPEX1GLATDP1MEN1
SCHEMBL1323012 0.82 APEX1 (0.58) KDM4EAPEX1GLATDP1MEN1
SCHEMBL111313 0.79 ALDH1A1 (0.76) KDM4EAPEX1GLATDP1MEN1
SCHEMBL6036030 0.79 MEN1 (0.57) KDM4EAPEX1GLATDP1MEN1
SCHEMBL16248148 0.79 APEX1 (0.55) KDM4EAPEX1GLATDP1MEN1

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
US-20190152979-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2019-05-23 US disclosed
US-10221179-B2 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors DOMAIN THERAPEUTICS (FR) 2019-03-05 US disclosed
US-10196387-B2 Carbazole compounds useful as bromodomain inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-05 US disclosed
EP-2961747-B1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-15 EP disclosed
EP-2961747-B1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-15 EP disclosed
US-20170305913-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2017-10-26 US disclosed
EP-3197897-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP IIMETABOTROPIC GLUTAMATE RECEPTORS Domain Therapeutics (FR) 2017-08-02 EP disclosed
US-20170152248-A1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-01 US disclosed
WO-2016046404-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP IIMETABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2016-03-31 WO disclosed
EP-3000814-A1 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors Domain Therapeutics (FR) 2016-03-30 EP disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
US-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors JOHNSON ADAM RICHARD (US) 2004-04-01 US disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
EP-1362048-A1 TRIAZOLO COMPOUNDS AS MMP INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
EP-1361873-A2 MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US disclosed
US-20020151558-A1 Triazolo compounds as MMP inhibitors ANDRIANJARA CHARLES (FR) 2002-10-17 US disclosed
WO-2002064080-A2 MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LCC (US) 2002-08-22 WO disclosed
WO-2002064595-A1 TRIAZOLO COMPOUNDS AS MMP INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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 (9 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-10196387-B2 Carbazole compounds useful as bromodomain inhibitors BRD3, BRD4, BRPF3 KDM4E 975/4885APEX1 1025/4885GLA 2943/4885
US-10221179-B2 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors GRM1, GRM2, GRIN1 KDM4E 2164/4885APEX1 3713/4885GLA 4658/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 KDM4E 2484/4885APEX1 3150/4885GLA 1275/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 KDM4E 2733/4885APEX1 3252/4885GLA 1467/4885
US-20170305913-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM2, GRIN1 KDM4E 2164/4885APEX1 3713/4885GLA 4658/4885
US-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 KDM4E 2155/4885APEX1 453/4885GLA 296/4885
US-20170152248-A1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRD3, BRD4, BRPF3 KDM4E 975/4885APEX1 1025/4885GLA 2943/4885
US-20020151558-A1 Triazolo compounds as MMP inhibitors MMP8, MMP13, MMP9 KDM4E 2363/4885APEX1 3985/4885GLA 1326/4885
US-20190152979-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM2, GRIN1 KDM4E 2238/4885APEX1 3723/4885GLA 4591/4885

“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.