SCHEMBL6353922

SCHEMBL6353922

COc1cc(CBr)ccc1OC(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.43
PDE4B Q07343 2/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL13111719 0.84 CA2 (0.50) CA2KMT2ASMN1; SMN2HTTRXFP1
SCHEMBL29559892 0.83 CA2 (0.68) CA2ALDH1A1ATMKDM4ECYP1A2
SCHEMBL1080853 0.83 CA2 (0.68) CA2ALDH1A1ATMKDM4ECYP1A2
SCHEMBL31681723 0.83 CA2 (0.48) CA2KMT2ASMN1; SMN2HTTHCRTR1
SCHEMBL5026284 0.83 CA2 (0.48) CA2KMT2ASMN1; SMN2HTTHCRTR1
SCHEMBL31681724 0.83 TTR (0.55) CA2KMT2ASMN1; SMN2HTTRXFP1
SCHEMBL5024938 0.83 TTR (0.55) CA2KMT2ASMN1; SMN2HTTRXFP1
SCHEMBL296312 0.80 HTR7 (0.53) CA2KMT2AHCRTR1HCRTR2TDP1
SCHEMBL1159439 0.80 ATM (0.72) CA2KMT2AHCRTR1HCRTR2LMNA
SCHEMBL5016139 0.79 CA2 (0.44) CA2KMT2ASMN1; SMN2HTTRXFP1

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-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 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-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 CA2 2223/4885KMT2A 3307/4885SMN1; SMN2 2363/4885

“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.