SCHEMBL5546205

SCHEMBL5546205

O=CNCc1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
AKR1B1 P15121 4/20 0.41
P2RX7 Q99572 4/20 0.41
PDPK1 O15530 1/20 0.40
PYCR1 P32322 1/20 0.40
AKR1A1 P14550 1/20 0.39
CHRM5 P08912 1/20 0.39
TRAP1 Q12931 3/20 0.38
HSP90B1 P14625 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH7 P40394 1/20 0.37
LMNA P02545 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL5541864 0.81 IDO1 (0.44) P2RX7ADH1BADH1CADH1AADH7
SCHEMBL12497219 0.79 CXCR3 (0.43) P2RX7CYP2C9CYP2C19ADH1BADH1C
SCHEMBL26568731 0.79 P2RX7 (0.43) P2RX7TRAP1HSP90B1HSP90AA1ADH1B
SCHEMBL5537898 0.77 KDM1A (0.50) KDM1AAKR1B1P2RX7PDPK1PYCR1
SCHEMBL19416985 0.76 USP28 (0.46) KDM1AAKR1B1P2RX7PDPK1PYCR1
SCHEMBL2145125 0.76 PDPK1 (0.48) KDM1AAKR1B1PDPK1PYCR1CHRM5
SCHEMBL6025265 0.76 IDO1 (0.49) ADH1BADH1CADH1AADH7LMNA
SCHEMBL17503898 0.76 ADH1B (0.39) ADH1BADH1CADH1AADH7
SCHEMBL8205 0.76 PDPK1 (0.43) KDM1AAKR1B1P2RX7PDPK1PYCR1
SCHEMBL18839297 0.76 KDM1A (0.48) KDM1AAKR1B1P2RX7PYCR1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108834415-B Substituted tricyclic 1, 4-benzodiazepine derivatives as allosteric modulators of group II metabotropic glutamate receptors 多曼治疗学公司 2021-12-24 CN disclosed
US-11008323-B2 Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group II metabotropic glutamate receptors DOMAIN THERAPEUTICS (FR) 2021-05-18 US disclosed
WO-2020249821-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-12-17 WO disclosed
US-20180346468-A1 SUBSTITUTED TRICYCLIC 1,4-BENZODIAZEPINONE DERIVATIVES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2018-12-06 US disclosed
EP-3374360-A1 SUBSTITUTED TRICYCLIC 1,4-BENZODIAZEPINONE DERIVATIVES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS Mavalon Therapeutics Limited (GB) 2018-09-19 EP disclosed
WO-2017081483-A1 SUBSTITUTED TRICYCLIC 1,4-BENZODIAZEPINONE DERIVATIVES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS MAVALON THERAPEUTICS LIMITED (GB) 2017-05-18 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KDM1A 4622/4885AKR1B1 495/4885P2RX7 3548/4885
US-20180346468-A1 SUBSTITUTED TRICYCLIC 1,4-BENZODIAZEPINONE DERIVATIVES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM1, GRM2 KDM1A 1220/4885AKR1B1 2362/4885P2RX7 204/4885
US-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX KDM1A 2016/4885AKR1B1 2962/4885P2RX7 1664/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 KDM1A 697/4885AKR1B1 151/4885P2RX7 4234/4885
US-11008323-B2 Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group II metabotropic glutamate receptors GRM3, GRM1, GRM2 KDM1A 1220/4885AKR1B1 2362/4885P2RX7 204/4885

“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.