SCHEMBL5014004

SCHEMBL5014004

NOc1cccc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
AGXT P21549 1/20 0.50
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BACE1 P56817 1/20 0.42
SOD1 P00441 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
MAOB P27338 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP4B1 P13584 1/20 0.41
CYP2B6 P20813 1/20 0.41

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
SCHEMBL16361075 0.80 LTA4H (0.55) MAOALTA4HALDH1A1MAOBCYP1A1
SCHEMBL16640500 0.79 MEN1 (0.46) AGXTLTA4HALDH1A1MAOBCYP1A1
SCHEMBL11409557 0.78 LTA4H (0.52) MAOALTA4HALDH1A1MAOBCYP1A1
SCHEMBL4536542 0.78 LTA4H (0.60) MAOALTA4HALDH1A1MAOB
Methylamine SCHEMBL27666960 0.77 MAOB (0.61) ALDH1A1MAOBCYP1A1CYP1A2CYP2E1
SCHEMBL5017625 0.77 CA1 (0.52) MAOAAGXTALDH1A1CYP1A2CYP3A4
SCHEMBL17449918 0.76 MAOA (0.44) MAOAAGXTLTA4HALDH1A1BACE1
SCHEMBL10622416 0.76 LTA4H (0.57) LTA4HALDH1A1MAOBCYP1A1CYP1A2
SCHEMBL28731744 0.76 MAOA (0.44) MAOAAGXTLTA4HALDH1A1BACE1
SCHEMBL29740761 0.76 CYP1A1 (0.64) MAOBCYP1A1CYP1A2CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 US disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed
US-20060122128-A1 3,6-Bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-08 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 (2 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-20060122128-A1 3,6-Bicyclolides ABCB11, CYP2B6, CYP3A7 MAOA 2247/4885AGXT 1676/4885LTA4H 392/4885
US-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 MAOA 2247/4885AGXT 1676/4885LTA4H 392/4885

“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.