SCHEMBL5337778

SCHEMBL5337778

CN1C(=O)c2c(Oc3ccccc3O)cc3c(c2C1=O)c1ccc(OCc2ccccc2)cc1n3C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.40
SRD5A2 P31213 1/20 0.38
ACHE P22303 1/20 0.37
NPC1 O15118 1/20 0.37
MAOA P21397 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE5A O76074 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
CYP19A1 P11511 1/20 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
SCHEMBL5337021 0.93 MAOB (0.41) MAOBSRD5A2NPC1CASP3RAB9A
SCHEMBL14422837 0.67 CHEK1 (0.63) MAOBACHEMAOA
SCHEMBL5339304 0.67 CHEK1 (0.49)
SCHEMBL5343125 0.67 MAOB (0.43) MAOBSRD5A2ACHENPC1MAOA
SCHEMBL5345854 0.65 WEE1 (0.49) TDP1
SCHEMBL5339738 0.64 MAOB (0.41) MAOBACHENPC1MAOACASP3
SCHEMBL5337989 0.64 SRD5A2 (0.41) MAOBSRD5A2ACHENPC1MAOA
SCHEMBL178201 0.62 ALDH1A1 (0.49) MAOBSRD5A2ACHEMAOA
SCHEMBL2433126 0.62 LTB4R (0.55) MAOBSRD5A2LTB4RLTB4R2
SCHEMBL27696946 0.62 SRD5A2 (0.48) MAOBSRD5A2ACHENPC1CASP3

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-7202255-B2 Substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2007-04-10 US disclosed
EP-1587810-B1 NOVEL SUBSTITUTED 1,4|BENZODIOXINO 2,3-E|ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2006-11-08 EP disclosed
US-20060040930-A1 Novel substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-02-23 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-20060040930-A1 Novel substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same CYP11B2, CYP2F1, CYP3A43 MAOB 71/4885SRD5A2 186/4885ACHE 2605/4885

“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.