SCHEMBL362156

SCHEMBL362156

C=Nc1c(F)cc(C#N)cc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.32
ALB P02768 2/20 0.32
TRPV4 Q9HBA0 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EGLN2 Q96KS0 2/20 0.32
KIF11 P52732 1/20 0.32
VCAM1 P19320 1/20 0.30

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
SCHEMBL28560711 0.74 VCAM1 (0.32) TTRALBTRPV4MEN1KMT2A
SCHEMBL17650044 0.74 GABRA1 (0.31) TTRALBTRPV4MEN1KMT2A
SCHEMBL3750074 0.73 TRPV4 (0.36) TTRALBTRPV4MEN1KMT2A
SCHEMBL12654823 0.72 TRPV4 (0.41) TRPV4KIF11
SCHEMBL157603 0.72 CES2 (0.42) TTRALBTRPV4MEN1KMT2A
SCHEMBL362875 0.72 CES2 (0.32)
SCHEMBL6649045 0.70 TRPV4 (0.61) TTRALBTRPV4MEN1KMT2A
SCHEMBL16092194 0.69 TTR (0.46) TTRALBTRPV4MEN1KMT2A
SCHEMBL198609 0.69 TTR (0.52) TTRALBTRPV4MEN1KMT2A
SCHEMBL524221 0.69 VCAM1 (0.43) TTRALBTRPV4MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311112-B1 ELECTRONIC DEVICES COMPRISING METAL COMPLEXES HAVING ISONITRILE LIGANDS MERCK PATENT GMBH (DE) 2012-03-14 EP disclosed
US-20110101327-A1 Electronic Devices Comprising Metal Complexes Having Isonitrile Ligands MERCK PATENT GMBH (DE) 2011-05-05 US disclosed
WO-2010015307-A1 ELECTRONIC DEVICES COMPRISING METAL COMPLEXES HAVING ISONITRILE LIGANDS MERCK PATENT GMBH (DE) 2010-02-11 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-20110101327-A1 Electronic Devices Comprising Metal Complexes Having Isonitrile Ligands EXOC4, ICMT, NCLN TTR 783/4885ALB 2305/4885TRPV4 118/4885

“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.