SCHEMBL4301010

SCHEMBL4301010

CCC(Cc1cccc2ccccc12)Oc1ncc(-c2cc(Br)c(O)c(Br)c2)nn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HDAC3 O15379 1/20 0.32
ADRB2 P07550 4/20 0.31
SOS1 Q07889 1/20 0.31
HTT P42858 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31

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
SCHEMBL3242221 0.81 CNR1 (0.38) MEN1KMT2ANPC1MAPTLMNA
SCHEMBL3246142 0.80 MEN1 (0.36) MEN1KMT2ANPC1GAAMAPT
SCHEMBL4301007 0.79 GAA (0.33) KMT2AGAA
SCHEMBL4301013 0.78 TSHR (0.33) KMT2AGAA
SCHEMBL4292477 0.76
SCHEMBL3240328 0.75 GPR84 (0.44) MEN1KMT2ANPC1GAAMAPT
SCHEMBL3236578 0.72 HTR6 (0.36)
SCHEMBL4292479 0.71 PTPN1 (0.32)
SCHEMBL3237976 0.71 ALDH1A1 (0.37) MEN1KMT2ANPC1MAPTLMNA
SCHEMBL4292242 0.70

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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives CFTR, PKD1, PKD2 MEN1 2901/4885KMT2A 4503/4885NPC1 296/4885

“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.