SCHEMBL2034448

SCHEMBL2034448

C(=Cc1ccccc1)Cc1nc(CC=Cc2ccccc2)nc(CC=Cc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
PAM P19021 1/20 0.47
MAOB P27338 1/20 0.44
HTR2A P28223 3/20 0.44
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL2034451 1.00 IDO1 (0.47) IDO1PAMMAOBHTR2APTGER4
SCHEMBL163963 0.76 MAOB (0.67) IDO1PAMMAOBHTR2APTGER4
SCHEMBL4256257 0.76 MAOB (0.67) IDO1PAMMAOBHTR2APTGER4
SCHEMBL1892917 0.76 MAOB (0.67) IDO1PAMMAOBHTR2APTGER4
SCHEMBL4863423 0.75 IDO1 (0.58) IDO1PAMMAOBHTR2ANPC1
SCHEMBL9777486 0.75 IDO1 (0.58) IDO1PAMMAOBHTR2ANPC1
Fluoride SCHEMBL28109078 0.74 MAOB (0.64) IDO1PAMMAOBHTR2APTGER4
SCHEMBL27480477 0.74 IDO1 (0.40) IDO1PAMMAOBHTR2APTGER4
SCHEMBL1870 0.73 IDO1 (0.52) IDO1PAMMAOBHTR2APTGER4
SCHEMBL1871 0.73 IDO1 (0.52) IDO1PAMMAOBHTR2APTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696620-B2 Antimicrobial compounds BOULOS & COOPER PHARMACEUTICALS PTY LTD (AU) 2020-06-30 US disclosed
US-20180290963-A1 ANTIMICROBIAL COMPOUNDS BOULOS, RAMIZ (AU) 2018-10-11 US disclosed
US-9738591-B2 Antimicrobial compounds Boulos, Ramiz (AU) 2017-08-22 US disclosed
US-20170029359-A1 ANTIMICROBIAL COMPOUNDS THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2017-02-02 US disclosed
US-20150189873-A1 ANTIMICROBIAL COMPOUNDS BOULOS & COOPER PHARMACEUTICALS PTY LTD (AU) 2015-07-09 US disclosed
US-9023892-B2 Antimicrobial compounds Boulos, Ramiz (AU) 2015-05-05 US disclosed
US-20120329871-A1 ANTIMICROBIAL COMPOUNDS THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2012-12-27 US disclosed
WO-2011075766-A1 ANTIMICROBIAL COMPOUNDS THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2011-06-30 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 (5 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-20180290963-A1 ANTIMICROBIAL COMPOUNDS MRPL21, SPOUT1, MPO IDO1 3284/4885PAM 2268/4885MAOB 1409/4885
US-10696620-B2 Antimicrobial compounds MRPL21, SPOUT1, MPO IDO1 3284/4885PAM 2268/4885MAOB 1409/4885
US-20120329871-A1 ANTIMICROBIAL COMPOUNDS DPM1, NACA, CLPP IDO1 3566/4885PAM 276/4885MAOB 2022/4885
US-20170029359-A1 ANTIMICROBIAL COMPOUNDS MRPL21, SPOUT1, MPO IDO1 3284/4885PAM 2268/4885MAOB 1409/4885
US-20150189873-A1 ANTIMICROBIAL COMPOUNDS DPM1, NACA, CLPP IDO1 3566/4885PAM 276/4885MAOB 2022/4885

“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.