SCHEMBL6420733

SCHEMBL6420733

COc1ccc(C2=NN=C(C)Cc3cc(OC)c(OC)cc32)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PDE4A P27815 2/20 0.52
CHRM1 P11229 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE3A Q14432 1/20 0.52
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
GRIA2 P42262 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.44
MAPK10 P53779 2/20 0.44

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
Nerisopam SCHEMBL8349837 0.86 CYP1A2 (0.63) MEN1KMT2APDE4ACHRM1PDE4D
SCHEMBL15974264 0.86 CHEK1 (0.51) MEN1KMT2APDE4ACHRM1PDE4D
Nerisopam SCHEMBL1004757 0.86 CYP1A2 (0.63) MEN1KMT2APDE4ACHRM1PDE4D
SCHEMBL7439770 0.86 MAPT (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7410880 0.86 PDGFRB (0.49) MEN1KMT2APDE4DCYP1A2CYP3A4
SCHEMBL10884494 0.85 CYP3A4 (0.48) MEN1KMT2APDE4ACHRM1PDE4D
SCHEMBL10890055 0.85 CYP1A2 (0.47) MEN1KMT2APDE4ACHRM1PDE4D
SCHEMBL7436927 0.84 PDE7A (0.46) MEN1KMT2APDE3ACYP1A2CYP3A4
SCHEMBL10889510 0.83 MAPK10 (0.49) MEN1KMT2APDE4ACHRM1PDE4D
SCHEMBL10888390 0.83 MAPK10 (0.49) MEN1KMT2APDE4ACHRM1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040106602-A1 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-06-03 US disclosed
US-4322346-A 5H-2,3-Benzodiazepine derivatives KOROSI JENO 1982-03-30 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 (1 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-20040106602-A1 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines LTB4R2, LTB4R, PTGER4 MEN1 4227/4885KMT2A 4017/4885PDE4A 1149/4885

“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.