SCHEMBL5494910

SCHEMBL5494910

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.82
CHRM1 P11229 1/20 0.82
PDE4A P27815 1/20 0.82
KMT2A Q03164 1/20 0.82
PDE4D Q08499 1/20 0.82
PDE3A Q14432 1/20 0.82
GAA P10253 3/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
POLB P06746 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
FYN P06241 3/20 0.38
CHEK2 O96017 1/20 0.38
CXCL12 P48061 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PRKAB2 O43741 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
SCHEMBL3245862 1.00 MEN1 (0.82) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL6690339 1.00 MEN1 (0.82) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL6684344 0.95 MEN1 (0.74) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL3245395 0.95 MEN1 (0.74) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL5497371 0.95 MEN1 (0.74) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL7432334 0.93 MEN1 (0.70) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL4593681 0.92 MEN1 (0.73) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL4307435 0.92 MEN1 (0.84) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL13293821 0.92 MEN1 (0.84) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL13293822 0.92 MEN1 (0.84) MEN1CHRM1PDE4AKMT2APDE4D

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-20040138209-A1 Treatment of inflammatory disorders with 2,3- benzodiazepines VELA PHARMACEUTICALS, INC. 2004-07-15 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-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-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 (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 4112/4885CHRM1 353/4885PDE4A 1591/4885
US-20040106602-A1 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines LTB4R2, LTB4R, PTGER4 MEN1 4227/4885CHRM1 359/4885PDE4A 1149/4885
US-20040106601-A1 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines OPRL1, OPRD1, GABRR1 MEN1 4420/4885CHRM1 131/4885PDE4A 2066/4885
US-20040224943-A1 Method of lowering body temperature with (R) - 2,3-benzodiazepines GABBR1, GABBR2, CYP11B2 MEN1 2857/4885CHRM1 650/4885PDE4A 2013/4885
US-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines GABBR2, GABBR1, GABRB3 MEN1 4138/4885CHRM1 60/4885PDE4A 1520/4885
US-20040138210-A1 Method of increasing neutrophil production using 2,3-benzodiazepines GABRR1, GABRA1, GABRA3 MEN1 4261/4885CHRM1 120/4885PDE4A 1136/4885

“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.