SCHEMBL9890759

SCHEMBL9890759

[C-]#[N+]c1c(-c2ccccc2CC(N)=O)cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
POLQ O75417 1/20 0.36
PTGS2 P35354 2/20 0.36
IDO1 P14902 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP1 P09874 1/20 0.34
SLC9A1 P19634 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AURKB Q96GD4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NR3C2 P08235 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SCN9A Q15858 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL9892660 0.83 MAOB (0.44) MAOBPOLQPTGS2IDO1MEN1
SCHEMBL1395805 0.76 POLQ (0.55) MAOBPOLQPTGS2IDO1HDAC1
SCHEMBL9892670 0.76 P2RX7 (0.40) MAOBPOLQPTGS2IDO1MEN1
Hydrochloric Acid SCHEMBL8413702 0.75 POLQ (0.54) MAOBPOLQPTGS2IDO1HDAC1
SCHEMBL9892668 0.73 POLQ (0.45) POLQALDH1A1SCN9A
SCHEMBL9892664 0.73 CHRM5 (0.41) MAOBIDO1ALDH1A1HPGDSCN9A
SCHEMBL31645651 0.72 P2RX7 (0.47) MAOBPOLQPTGS2IDO1
SCHEMBL7000495 0.72 MAOB (0.42) MAOBPOLQPTGS2IDO1HDAC1
SCHEMBL2393509 0.72 POLQ (0.43) POLQMEN1KMT2AALDH1A1SCN9A
SCHEMBL4324874 0.71 P2RX7 (0.50) MAOBPOLQPTGS2IDO1ALDH1A1

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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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 (2 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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 MAOB 1411/4885POLQ 3938/4885PTGS2 2051/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 MAOB 1411/4885POLQ 3938/4885PTGS2 2051/4885

“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.