SCHEMBL16632333

SCHEMBL16632333

NNc1cc(Br)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.54
KDM4E B2RXH2 2/20 0.53
GLA P06280 1/20 0.53
KCNK2 O95069 1/20 0.48
KCNK10 P57789 1/20 0.48
APEX1 P27695 1/20 0.46
GRIK1 P39086 4/20 0.46
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
DHODH Q02127 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GPR35 Q9HC97 1/20 0.44
PIM1 P11309 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DGAT1 O75907 1/20 0.43
CDK2 P24941 1/20 0.43
CA12 O43570 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
Hydrochloric Acid SCHEMBL145407 0.98 ACLY (0.53) ACLYKDM4EGLAKCNK2KCNK10
SCHEMBL109573 0.86 KDM4E (0.60) KDM4EGLAKCNK2KCNK10APEX1
Hydrochloric Acid SCHEMBL143713 0.85 APEX1 (0.58) KDM4EGLAKCNK2KCNK10APEX1
Hydrochloric Acid SCHEMBL15054390 0.85 APEX1 (0.58) KDM4EGLAKCNK2KCNK10APEX1
SCHEMBL9942872 0.82 ACLY (0.55) ACLYKDM4EGLAKCNK2KCNK10
SCHEMBL4152400 0.81 ACLY (0.54) ACLYKDM4EGLAKCNK2KCNK10
SCHEMBL1002997 0.78 MAPT (0.59) KDM4EGRIK1AKR1C3AKR1C2TDP1
SCHEMBL9472568 0.78 MAPT (0.65) KDM4EAKR1C3AKR1C2TDP1CA12
SCHEMBL10171027 0.78 AKR1C3 (0.70) ACLYKDM4EGLAKCNK2KCNK10
SCHEMBL7847232 0.78 ACLY (0.59) ACLYKDM4EGLAKCNK2KCNK10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170305913-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2017-10-26 US disclosed
CN-107074804-A Carbazole derivates 百时美施贵宝公司 2017-08-18 CN disclosed
US-9434734-B2 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors DOMAIN THERAPEUTICS (FR) 2016-09-06 US disclosed
US-20150105381-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2015-04-16 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 (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-10221179-B2 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors GRM1, GRM2, GRIN1 ACLY 1816/4885KDM4E 2164/4885GLA 4658/4885
US-20170305913-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM2, GRIN1 ACLY 1816/4885KDM4E 2164/4885GLA 4658/4885
US-20150105381-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRIN1, GRM2 ACLY 1842/4885KDM4E 2410/4885GLA 4636/4885

“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.