SCHEMBL6846696

SCHEMBL6846696

Nc1cccc(OCc2cncc(Br)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.58
APP P05067 1/20 0.54
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 2/20 0.43
TSHR P16473 1/20 0.41
MGMT P16455 1/20 0.39
CYP2D6 P10635 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL810530 0.81 MAOB (0.77) MAOBAPPMAOANPC1ALDH1A1
SCHEMBL810677 0.80 MAOB (0.72) MAOBAPPTP53CYP3A4MAOA
SCHEMBL3998456 0.79 MAOB (0.66) MAOBAPPTP53CYP3A4
SCHEMBL18339411 0.78 MAOB (0.52) MAOBAPP
SCHEMBL21808795 0.76 MAOB (0.42) MAOBAPPMGMT
SCHEMBL10032957 0.76 MAOB (0.72) MAOBAPPTP53CYP3A4MAOA
SCHEMBL810741 0.75 MAOB (0.77) MAOBAPPMAOANPC1ALDH1A1
SCHEMBL18339540 0.75 MRGPRX4 (0.53) MAOBAPPTP53CYP3A4NPC1
3-(Benzyloxy)Aniline SCHEMBL291445 0.74 MAOB (1.00) MAOBAPPTP53CYP3A4MAOA
3-(Benzyloxy)Aniline SCHEMBL29428912 0.74 MAOB (1.00) MAOBAPPTP53CYP3A4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAOB 2116/4885APP 1186/4885TP53 397/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAOB 2116/4885APP 1186/4885TP53 397/4885

“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.