SCHEMBL4319489

SCHEMBL4319489

Nc1ccc(OCc2ccc(F)cc2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.59
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
SLC6A4 P31645 2/20 0.44
HTR1A P08908 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
STAT3 P40763 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APP P05067 1/20 0.42
CCR5 P51681 1/20 0.42

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
SCHEMBL5571351 0.91 MAOB (0.53) MAOBRAB9ALMNAMAPTSMN1; SMN2
SCHEMBL14855144 0.87 CCR5 (0.49) MAOBIDO1AGXTSLC6A4CCR5
SCHEMBL371725 0.86 MAOB (0.53) MAOBRAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11418706 0.85 MAOB (0.51) MAOBRAB9AMAPTSMN1; SMN2
SCHEMBL20607894 0.84 NPC1 (0.51) MAOBIDO1AGXTMEN1NPC1
SCHEMBL24686580 0.83 MAOB (0.56) MAOBIDO1AGXTSLC6A4HTR1A
SCHEMBL3320471 0.83 MAOB (0.56) MAOBIDO1AGXTSLC6A4HTR1A
SCHEMBL31193398 0.83 MAOB (0.56) MAOBIDO1AGXTSLC6A4HTR1A
SCHEMBL1578459 0.82 KDM4E (0.57) MAOBMEN1KMT2ALMNAHTT
SCHEMBL3321494 0.82 MAOB (0.65) MAOBIDO1AGXTSLC6A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492588-B2 Benzyloxy anilide derivatives useful as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2013-07-23 US disclosed
US-20120329869-A1 BENZYLOXY ANILIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL 2012-12-27 US disclosed
US-8188314-B2 Benzyloxy anilide derivatives useful as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2012-05-29 US disclosed
US-20090326059-A1 BENZYLOXY ANILIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2009-12-31 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-20120329869-A1 BENZYLOXY ANILIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCND2, KCNB2, KCNAB1 MAOB 549/4885IDO1 2482/4885AGXT 3059/4885
US-20090326059-A1 BENZYLOXY ANILIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCND2, KCNB2, KCNAB1 MAOB 549/4885IDO1 2482/4885AGXT 3059/4885

“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.