SCHEMBL13046757

SCHEMBL13046757

Cc1ccc(CNBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
BLM P54132 1/20 0.47
PLEC Q15149 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL842161 0.78 CHRM2 (0.67) CHRM2MEN1KMT2AMAPTNPC1
SCHEMBL296509 0.76 MAPT (0.56) CHRM2MEN1KMT2AMAPTNPC1
SCHEMBL19373099 0.75 APP (0.40) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9994731 0.74 CHRM2 (0.50) CHRM2MEN1KMT2AMAPTNPC1
SCHEMBL6894316 0.74 CHRM2 (0.50) CHRM2MEN1KMT2AMAPTNPC1
SCHEMBL7754741 0.74 THRB (0.56) CHRM2MEN1KMT2AMAPTNPC1
SCHEMBL4573527 0.74 CHRM2 (0.50) CHRM2MEN1KMT2AMAPTNPC1
SCHEMBL14304332 0.74 AGER (0.52) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2776498 0.74 IDO1 (0.56) CHRM2MEN1KMT2AMAPTNPC1
SCHEMBL11963390 0.74 CHRM2 (0.50) CHRM2MEN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507554-B2 Quorum sensing antagonist and method of reducing a bacterial contamination using the quorum sensing antagonist SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2013-08-13 US disclosed
US-20100292261-A1 QUORUM SENSING ANTAGONIST, METHOD OF PREVENTING A BIOFILM FORMATION USING THE QUORUM SENSING ANTAGONIST AND METHOD OF REDUCING A BACTERIAL CONTAMINATION USING THE QUORUM SENSING ANTAGONIST SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2010-11-18 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-20100292261-A1 QUORUM SENSING ANTAGONIST, METHOD OF PREVENTING A BIOFILM FORMATION USING THE QUORUM SENSING ANTAGONIST AND METHOD OF REDUCING A BACTERIAL CONTAMINATION USING THE QUORUM SENSING ANTAGONIST BLVRB, PGLS, O60361 CHRM2 3992/4885MEN1 4404/4885KMT2A 2817/4885

“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.