SCHEMBL4585826

SCHEMBL4585826

CC=C(CC)c1ccc(OC)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.65
MAOB P27338 1/20 0.58
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS1 P23219 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA7 P43166 1/20 0.52
TPMT P51580 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52

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
SCHEMBL4585821 1.00 NQO2 (0.65) NQO2MAOBMEN1GAAKMT2A
SCHEMBL4585814 1.00 NQO2 (0.65) NQO2MAOBMEN1GAAKMT2A
SCHEMBL14613395 0.87 PDE4A (0.54) NQO2MAOBGAACYP1A2CYP3A4
SCHEMBL13293828 0.86 NQO2 (0.51) NQO2MAOBMEN1GAAKMT2A
SCHEMBL8322998 0.86 PRSS1 (0.52) NQO2MEN1KMT2ATSHRKDM4E
SCHEMBL3236825 0.82 NPC1 (0.70) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3236841 0.82 NPC1 (0.70) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3236834 0.82 NPC1 (0.70) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8324910 0.82 NQO2 (0.47) NQO2MAOBMEN1GAAKMT2A
SCHEMBL5441428 0.80 POLB (0.51) NQO2TSHRPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9408852-B2 Method of lowering serum uric acid levels with (S)-tofisopam PHARMOS CORPORATION (US) 2016-08-09 US disclosed
US-20130045966-A1 Method of Lowering Serum Uric Acid Levels With (S)-Tofisopam PHARMOS CORPORATION (US) 2013-02-21 US disclosed
EP-1567162-A4 TREATMENT OF IRRITABLE BOWEL SYNDROME AND NONULCER DYSPEPSIA WITH SUBSTITUTED 2,3-BENZODIAZEPINES VELA ACQUISITION CORP (US) 2008-04-30 EP disclosed
US-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines VELA ACQUISITION CORPORATION 2007-02-08 US disclosed
US-7022700-B2 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines VELA PHARMACEUTICALS, INC. (US) 2006-04-04 US disclosed
EP-1567162-A2 TREATMENT OF IRRITABLE BOWEL SYNDROME AND NONULCER DYSPEPSIA WITH SUBSTITUTED 2,3-BENZODIAZEPINES Vela Pharmaceuticals Inc. (US) 2005-08-31 EP disclosed
US-6864251-B2 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines VELA PHARMACEUTICALS, INC. (US) 2005-03-08 US disclosed
US-20040254173-A1 Modulation of dopamine responses with substituted (S)-2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-12-16 US disclosed
US-20040229866-A1 Method of lowering body temperature with (S)-2,3-benzodiazepines VELA PHARMACEUTICALS, INC. 2004-11-18 US disclosed
US-20040224943-A1 Method of lowering body temperature with (R) - 2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-11-11 US disclosed
US-20040162284-A1 Method of lowering body temperature with (S) tofisopam VELA ACQUISITION CORPORATION 2004-08-19 US disclosed
US-20040152695-A1 Pharmaceutical composition of 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine and uses thereof VELA PHARMACEUTICALS, INC. 2004-08-05 US disclosed
US-20040138210-A1 Method of increasing neutrophil production using 2,3-benzodiazepines VELA PHARMACEUTICALS, INC. 2004-07-15 US disclosed
US-20040138209-A1 Treatment of inflammatory disorders with 2,3- benzodiazepines VELA PHARMACEUTICALS, INC. 2004-07-15 US disclosed
WO-2004050616-A2 TREATMENT OF IRRITABLE BOWEL SYNDROME AND NONULCER DYSPEPSIA WITH SUBSTITUTED 2,3-BENZODIAZEPINES VELA PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
US-20040106601-A1 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-06-03 US disclosed
US-20040106602-A1 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-06-03 US disclosed
US-6638928-B1 Benzodiazepines administered for irritable bowel syndrome and nonulcer dyspepsia. VELA PHARMACEUTICALS, INC. 2003-10-28 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 (11 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-20040138209-A1 Treatment of inflammatory disorders with 2,3- benzodiazepines LTB4R2, LTB4R, GABRA4 NQO2 1655/4885MAOB 502/4885MEN1 4112/4885
US-20040106602-A1 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines LTB4R2, LTB4R, PTGER4 NQO2 1807/4885MAOB 534/4885MEN1 4227/4885
US-20040229866-A1 Method of lowering body temperature with (S)-2,3-benzodiazepines CYP11B2, CYP2S1, CYP1A2 NQO2 852/4885MAOB 264/4885MEN1 2972/4885
US-20040152695-A1 Pharmaceutical composition of 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine and uses thereof GABRA4, GABRA2, GABRB2 NQO2 3724/4885MAOB 173/4885MEN1 3817/4885
US-20040106601-A1 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines OPRL1, OPRD1, GABRR1 NQO2 700/4885MAOB 578/4885MEN1 4420/4885
US-20040254173-A1 Modulation of dopamine responses with substituted (S)-2,3-benzodiazepines DRD2, OPRD1, DRD1 NQO2 2054/4885MAOB 193/4885MEN1 4311/4885
US-20040224943-A1 Method of lowering body temperature with (R) - 2,3-benzodiazepines GABBR1, GABBR2, CYP11B2 NQO2 893/4885MAOB 355/4885MEN1 2857/4885
US-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines GABBR2, GABBR1, GABRB3 NQO2 1389/4885MAOB 1327/4885MEN1 4138/4885
US-20040138210-A1 Method of increasing neutrophil production using 2,3-benzodiazepines GABRR1, GABRA1, GABRA3 NQO2 624/4885MAOB 812/4885MEN1 4261/4885
US-20130045966-A1 Method of Lowering Serum Uric Acid Levels With (S)-Tofisopam ATIC, NPPA, XPNPEP1 NQO2 983/4885MAOB 877/4885MEN1 2521/4885
US-20040162284-A1 Method of lowering body temperature with (S) tofisopam THOP1, SHBG, NPPA NQO2 831/4885MAOB 852/4885MEN1 397/4885

“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.