SCHEMBL4307435

SCHEMBL4307435

CC[C@H]1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(O)cc21

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.84
KMT2A Q03164 6/20 0.84
CHRM1 P11229 1/20 0.84
PDE4A P27815 1/20 0.84
PDE4D Q08499 1/20 0.84
PDE3A Q14432 1/20 0.84
TSHR P16473 2/20 0.38
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALOX12 P18054 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL5426502 1.00 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL3244539 1.00 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL13293821 0.95 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL3236700 0.95 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL3242116 0.95 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL3242127 0.95 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL13293822 0.95 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL5497371 0.94 MEN1 (0.74) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL5431967 0.94 KMT2A (0.82) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL3245395 0.94 MEN1 (0.74) MEN1KMT2ACHRM1PDE4APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161628-A1 Phosphodiesterase inhibitors GREENPHARMA (FR) 2007-07-12 US claimed
US-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines VELA ACQUISITION CORPORATION 2007-02-08 US claimed
US-6864251-B2 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines VELA PHARMACEUTICALS, INC. (US) 2005-03-08 US claimed
US-20040224943-A1 Method of lowering body temperature with (R) - 2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-11-11 US claimed
US-20040138210-A1 Method of increasing neutrophil production using 2,3-benzodiazepines VELA PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004050615-A2 METHOD OF INCREASING NEUTROPHIL PRODUCTION USING 2,3-BENZODIAZEPINES VELA PHARMACEUTICALS, INC. (US) 2004-06-17 WO claimed
US-20040106602-A1 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-06-03 US claimed
US-20040106601-A1 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-06-03 US claimed
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
US-7541355-B2 Conversion process for 2,3-benzodiazepine enantiomers VELA ACQUISITION CORPORATION (US) 2009-06-02 US disclosed
US-20070161628-A1 Phosphodiesterase inhibitors GREENPHARMA (FR) 2007-07-12 US 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-20070021412-A1 Treatment of gastrointestinal dysfunction and related stress with an enantiomerically-pure (S) 2,3-benzodiazepine VELA PHARMACEUTICALS, INC. (US) 2007-01-25 US disclosed
US-20040162284-A1 Method of lowering body temperature with (S) tofisopam VELA ACQUISITION CORPORATION 2004-08-19 US disclosed
US-20040138209-A1 Treatment of inflammatory disorders with 2,3- benzodiazepines VELA PHARMACEUTICALS, INC. 2004-07-15 US disclosed
US-20040138210-A1 Method of increasing neutrophil production using 2,3-benzodiazepines VELA PHARMACEUTICALS, INC. 2004-07-15 US disclosed
WO-2004050615-A2 METHOD OF INCREASING NEUTROPHIL PRODUCTION USING 2,3-BENZODIAZEPINES VELA PHARMACEUTICALS, INC. (US) 2004-06-17 WO 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-20040106601-A1 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-06-03 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 (10 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 MEN1 4112/4885KMT2A 2660/4885CHRM1 353/4885
US-20040106602-A1 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines LTB4R2, LTB4R, PTGER4 MEN1 4227/4885KMT2A 4017/4885CHRM1 359/4885
US-20070161628-A1 Phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B MEN1 3432/4885KMT2A 2209/4885CHRM1 395/4885
US-20070021412-A1 Treatment of gastrointestinal dysfunction and related stress with an enantiomerically-pure (S) 2,3-benzodiazepine GABRA2, HRH2, GABRA3 MEN1 4660/4885KMT2A 1803/4885CHRM1 273/4885
US-20040106601-A1 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines OPRL1, OPRD1, GABRR1 MEN1 4420/4885KMT2A 4000/4885CHRM1 131/4885
US-20040224943-A1 Method of lowering body temperature with (R) - 2,3-benzodiazepines GABBR1, GABBR2, CYP11B2 MEN1 2857/4885KMT2A 2115/4885CHRM1 650/4885
US-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines GABBR2, GABBR1, GABRB3 MEN1 4138/4885KMT2A 3002/4885CHRM1 60/4885
US-20040138210-A1 Method of increasing neutrophil production using 2,3-benzodiazepines GABRR1, GABRA1, GABRA3 MEN1 4261/4885KMT2A 3420/4885CHRM1 120/4885
US-20130045966-A1 Method of Lowering Serum Uric Acid Levels With (S)-Tofisopam ATIC, NPPA, XPNPEP1 MEN1 2521/4885KMT2A 3253/4885CHRM1 3170/4885
US-20040162284-A1 Method of lowering body temperature with (S) tofisopam THOP1, SHBG, NPPA MEN1 397/4885KMT2A 2670/4885CHRM1 3983/4885

“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.