SCHEMBL12650855

SCHEMBL12650855

N#Cc1cc(Br)cc(C#N)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
GPR35 Q9HC97 2/20 0.37
TRPV4 Q9HBA0 2/20 0.32
MEN1 O00255 1/20 0.32
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SLC1A5 Q15758 1/20 0.31
MCL1 Q07820 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4521310 0.84 TRPV4 (0.36) MAOBMAOAGPR35TRPV4MEN1
SCHEMBL22319431 0.80 MAOB (0.39) MAOBMAOAGPR35TRPV4MEN1
SCHEMBL16122644 0.76 TSHR (0.37) MAOBMAOAGPR35MEN1TTR
SCHEMBL9478745 0.76 XDH (0.37) MAOBMAOAGPR35
SCHEMBL16098127 0.76 TRPV4 (0.38) MAOBMAOAGPR35TRPV4MEN1
SCHEMBL2040623 0.74 VCAM1 (0.41) GPR35TRPV4MEN1TTRALB
SCHEMBL28365899 0.74 TDP1 (0.41) MAOBMAOAGPR35TRPV4MEN1
SCHEMBL23928094 0.74 MAOB (0.36) MAOBMAOATRPV4MEN1TTR
SCHEMBL10878012 0.74 MAOA (0.31) MAOBMAOATRPV4MEN1TTR
SCHEMBL7925140 0.73 TRPV4 (0.36) TRPV4MEN1KMT2AMAPK1

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-8846978-B2 Electronic devices comprising novel phosphonic acid surface modifiers IMPERIAL INNOVATIONS LTD. (GB) 2014-09-30 US disclosed
US-20110114935-A1 Stable electrodes with modified work functions and methods for organic electronic devices GEORGIA TECH RESEARCH CORPORATION (US) 2011-05-19 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-20110114935-A1 Stable electrodes with modified work functions and methods for organic electronic devices EPCAM, EMD, L1CAM MAOB 1623/4885MAOA 1203/4885GPR35 4353/4885

“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.