SCHEMBL14925366

SCHEMBL14925366

CC(=O)c1ccc(-c2ccccc2C(F)(F)F)c(CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PDK2 Q15119 1/20 0.46
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 4/20 0.45
CRHR1 P34998 1/20 0.44
S100A4 P26447 1/20 0.43
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
TSHR P16473 2/20 0.40
KIF11 P52732 1/20 0.40
TRPA1 O75762 1/20 0.38
PKM P14618 1/20 0.38
RORC P51449 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CLK4 Q9HAZ1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14925362 0.89 MAOA (0.49) MAOAMAOBPDK2AKR1C3AKR1C2
SCHEMBL10035257 0.86 NOTUM (0.52) MAOAMAOBPDK2AKR1C3AKR1C2
SCHEMBL14925354 0.81 PDK2 (0.51) MAOAMAOBPDK2AKR1C3AKR1C2
SCHEMBL14925368 0.80 PDK2 (0.50) MAOAMAOBPDK2AKR1C3AKR1C2
SCHEMBL12123426 0.78 MAOA (0.48) MAOAMAOBAKR1C3AKR1C2KIF11
SCHEMBL14925355 0.77 AKR1C3 (0.52) MAOAMAOBPDK2AKR1C3AKR1C2
SCHEMBL15746963 0.76 KIF11 (0.53) MAOAMAOBPDK2AKR1C3AKR1C2
SCHEMBL10035260 0.75 EPHX2 (0.44) PDK2AKR1C3AKR1C2ALDH1A1KMT2A
SCHEMBL10035261 0.74 MRGPRX4 (0.44) MAOAMAOBAKR1C3AKR1C2ALDH1A1
SCHEMBL407578 0.74 TRPA1 (0.50) MAOAMAOBAKR1C3AKR1C2ALDH1A1

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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN MAOA 1420/4885MAOB 1077/4885PDK2 2772/4885

“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.