SCHEMBL19735030

SCHEMBL19735030

CNc1cc(Br)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
BTK Q06187 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
HSP90AA1 P07900 1/20 0.41
TLR9 Q9NR96 1/20 0.41
MAPK1 P28482 2/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL29661763 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AALOX15CYP1A2
SCHEMBL12190764 0.82 APP (0.37) ALDH1A1MEN1KMT2AALOX15GAA
SCHEMBL29661787 0.80 APP (0.46) ALDH1A1MEN1KMT2AALOX15GAA
SCHEMBL12301896 0.80 APP (0.46) ALDH1A1MEN1KMT2AALOX15GAA
SCHEMBL14044064 0.78 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2GAA
SCHEMBL12375437 0.78 SIGMAR1 (0.37) ALDH1A1MEN1KMT2ALMNABTK
SCHEMBL25455677 0.76 STAT3 (0.31) ALDH1A1MEN1KMT2AALOX15GAA
SCHEMBL23540511 0.76 HDAC1 (0.32) ALDH1A1MEN1KMT2AALOX15GAA
SCHEMBL931406 0.76 HDAC1 (0.45) ALDH1A1MEN1KMT2AALOX15CYP3A4
SCHEMBL23341752 0.76 CXCR1 (0.40) ALDH1A1MEN1KMT2AALOX15CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362226-A1 RADIOACTIVE HALOGEN-LABELED PYRIDO [1,2-A] BENZIMIDAZOLE DERIVATIVE COMPOUND KYOTO UNIVERSITY (JP) 2017-12-21 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-20170362226-A1 RADIOACTIVE HALOGEN-LABELED PYRIDO [1,2-A] BENZIMIDAZOLE DERIVATIVE COMPOUND BRI3BP, BRD1, BRDT ALDH1A1 168/4885MEN1 642/4885KMT2A 506/4885

“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.