SCHEMBL200551

SCHEMBL200551

COc1ccc(COc2cc(Br)cc(C#N)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.52
APP P05067 6/20 0.50
MAOA P21397 2/20 0.50
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP19A1 P11511 1/20 0.44
SMPD1 P17405 1/20 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
SCHEMBL310367 0.85 MAOB (0.60) MAOBAPPRAB9ANPC1POLB
SCHEMBL22489859 0.84 MAOB (0.63) MAOBMAOARAB9ASMN1; SMN2SMPD1
SCHEMBL22119929 0.83 APP (0.50) MAOBAPPMAOARAB9ANPC1
SCHEMBL29371430 0.83 APP (0.50) MAOBAPPMAOARAB9ANPC1
SCHEMBL20775328 0.82 RAB9A (0.54) MAOBMAOARAB9ANPC1SMN1; SMN2
SCHEMBL23541194 0.82 MAOB (0.59) MAOBAPPMAOARAB9ACYP19A1
SCHEMBL2276512 0.81 MAOB (0.68) MAOBAPPMAOARAB9ANPC1
SCHEMBL22120090 0.80 FFAR1 (0.49) MAOBAPPMAOARAB9ANPC1
SCHEMBL3633607 0.80 APP (0.48) MAOBAPPRAB9ANPC1POLB
SCHEMBL20772425 0.80 RXRA (0.63) MAOBRAB9ANPC1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411358-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2010108856-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
WO-2010108856-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 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-20100240678-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S MAOB 112/4885APP 3152/4885MAOA 524/4885

“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.