SCHEMBL3591265

SCHEMBL3591265

Br[12c]1cc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
FLT3 P36888 1/20 0.48
CYP2A6 P11509 1/20 0.48
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
DAO P14920 2/20 0.47
HPGD P15428 2/20 0.47
SRD5A2 P31213 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BRD4 O60885 1/20 0.47
DDO Q99489 1/20 0.47
CA2 P00918 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CHEK1 O14757 1/20 0.44
KDR P35968 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 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
SCHEMBL29425617 1.00 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL261138 1.00 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL27618858 1.00 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL6824703 0.98 AOC3 (0.52) AOC3NPC1RAB9ALOXL2FLT3
Pyrrole SCHEMBL28091046 0.89 LOXL2 (0.46) AOC3NPC1RAB9ALOXL2FLT3
Sulfamide SCHEMBL27827775 0.88 CA2 (0.59) AOC3NPC1RAB9ALOXL2FLT3
Formic Acid Methyl Ester SCHEMBL27945794 0.83 CYP2A6 (0.49) AOC3NPC1RAB9AFLT3CYP2A6
Quinoline SCHEMBL28065955 0.82 ALDH1A1 (0.57) AOC3NPC1RAB9AKDM4EMAPT
SCHEMBL30010158 0.76 ALDH1A1 (0.45) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL28159595 0.74 FGFR1 (0.49) NPC1RAB9AKDM4EMAPTALDH1A1

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-8076365-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-13 US disclosed
US-20100168098-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-01 US disclosed
EP-1915378-A4 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2009-07-22 EP disclosed
EP-1915378-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-04-30 EP disclosed
WO-2007019674-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 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 (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-20100168098-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, POLR2E AOC3 2706/4885NPC1 751/4885RAB9A 129/4885

“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.