SCHEMBL9969445

SCHEMBL9969445

CCCOc1ccc(C#N)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.47
HRH3 Q9Y5N1 1/20 0.43
MPO P05164 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
AR P10275 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL13184921 0.92 HRH3 (0.45) SLC6A9HRH3ALDH1A1TRPV4KDM4E
SCHEMBL15924404 0.89 ALDH1A1 (0.50) HRH3ALDH1A1KDM4EHTTHPGD
SCHEMBL17654321 0.89 ALDH1A1 (0.50) HRH3ALDH1A1KDM4EHTTHPGD
SCHEMBL4727931 0.86 TRPV4 (0.53) SLC6A9ALDH1A1TRPV4KDM4EMEN1
SCHEMBL12460722 0.83 HRH3 (0.43) SLC6A9HRH3ARGPR119USP30
SCHEMBL1714334 0.83 HRH3 (0.43) SLC6A9HRH3TRPV4ARGPR119
SCHEMBL5314540 0.83 HRH3 (0.40) SLC6A9HRH3TRPV4ARGPR119
SCHEMBL1619495 0.83 PTGDR2 (0.44) SLC6A9HRH3ARUSP30ICMT
SCHEMBL16961474 0.83 MAPT (0.40) SLC6A9HRH3MPOALDH1A1KDM4E
SCHEMBL29200029 0.83 MAPT (0.40) SLC6A9HRH3MPOALDH1A1KDM4E

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-20130261154-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 US disclosed
WO-2012082580-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-21 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-20130261154-A1 FUNGICIDAL AZOCYCLIC AMIDES CYP51A1, Q6ZSR9, NOX1 SLC6A9 2579/4885HRH3 2017/4885MPO 45/4885

“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.