SCHEMBL3605495

SCHEMBL3605495

COc1ccc2c(Br)cc(F)c(O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TLR9 Q9NR96 1/20 0.41
ERN1 O75460 2/20 0.39
RPS6KA3 P51812 1/20 0.39
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
CYP1A2 P05177 2/20 0.36
TDO2 P48775 1/20 0.35
EGFR P00533 2/20 0.34
TP53 P04637 2/20 0.34
USP2 O75604 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2172807 0.78 KMT2A (0.37) KMT2AMEN1RAB9ACYP1A2EGFR
SCHEMBL3406526 0.77 ERN1 (0.41) ERN1RPS6KA3TDP1RAF1DYRK1A
SCHEMBL3621183 0.74 MIF (0.43) KDM4EERN1ESR1TDO2HTT
SCHEMBL3621184 0.74 MIF (0.43) KDM4EERN1ESR1TDO2HTT
SCHEMBL7367909 0.72 NQO2 (0.37) KMT2AMEN1KDM4ERAB9ALMNA
SCHEMBL17543401 0.71 CYP1A2 (0.37) KMT2AKDM4EERN1CYP1A2TDO2
SCHEMBL1223235 0.70 PTGS2 (0.39) KMT2ACYP1A2EGFRTDP1
SCHEMBL2490082 0.69 ERN1 (0.44) ERN1RPS6KA3
SCHEMBL29692876 0.69 ERN1 (0.44) ERN1RPS6KA3
SCHEMBL621648 0.68 KDM4E (0.72) KMT2AMEN1KDM4ERAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US disclosed
EP-2137195-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 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 (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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS KMT2A 3721/4885MEN1 2272/4885KDM4E 3472/4885

“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.