SCHEMBL5494252

SCHEMBL5494252

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
CHRM1 P11229 1/20 0.74
PDE4A P27815 1/20 0.74
PDE4D Q08499 1/20 0.74
PDE3A Q14432 1/20 0.74
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TUBB4A P04350 4/20 0.36
TUBB P07437 4/20 0.36
TUBA3C P0DPH7 4/20 0.36
TUBA1B P68363 4/20 0.36
TUBA4A P68366 4/20 0.36
TUBB4B P68371 4/20 0.36
TUBB3 Q13509 4/20 0.36
TUBB2A Q13885 4/20 0.36
TUBB8 Q3ZCM7 4/20 0.36
TUBA3E Q6PEY2 4/20 0.36

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
SCHEMBL6858437 1.00 MEN1 (0.74) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL4593681 0.97 MEN1 (0.73) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL4585220 0.95 MEN1 (0.82) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL4586009 0.95 MEN1 (0.82) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL7441633 0.95 MEN1 (0.74) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL3247339 0.95 MEN1 (0.82) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL5426502 0.94 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL4307435 0.94 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL3244539 0.94 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL7440528 0.94 MEN1 (0.69) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040138209-A1 Treatment of inflammatory disorders with 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-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
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-20040224943-A1 Method of lowering body temperature with (R) - 2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-11-11 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-2004050615-A2 METHOD OF INCREASING NEUTROPHIL PRODUCTION USING 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-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

“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.