SCHEMBL799564

SCHEMBL799564

N#Cc1cc(F)c(I)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.46
KHK P50053 1/20 0.39
TTR P02766 1/20 0.34
ALB P02768 1/20 0.34
ALDH1A1 P00352 1/20 0.33
XDH P47989 1/20 0.32
CYP11B1 P15538 8/20 0.32
CYP11B2 P19099 8/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
DYRK1A Q13627 1/20 0.31
AR P10275 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
SCHEMBL17672794 0.88 TRPV4 (0.56) TRPV4KHKTTRALBALDH1A1
SCHEMBL25967976 0.88 TRPV4 (0.45) TRPV4KHKTTRALBALDH1A1
SCHEMBL2474467 0.82 ALDH1A1 (0.46) TRPV4KHKALDH1A1CYP11B1CYP11B2
SCHEMBL3324301 0.82 TRPV4 (0.41) TRPV4KHKTTRALB
SCHEMBL2783854 0.81 TRPV4 (0.56) TRPV4KHKALDH1A1CYP11B1CYP11B2
SCHEMBL15492122 0.81 TTR (0.42) TRPV4TTRALBALDH1A1XDH
SCHEMBL18900267 0.80 TRPV4 (0.46) TRPV4KHKTTRALBALDH1A1
SCHEMBL2725966 0.78 ALDH1A1 (0.44) ALDH1A1CYP11B1CYP11B2AR
SCHEMBL6739415 0.78 ALDH1A1 (0.44) ALDH1A1CYP11B1CYP11B2AR
SCHEMBL21763267 0.75 TTR (0.42) TRPV4TTRALBXDHDYRK1A

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-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-03-22 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-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS RB1, NRAS, HLA-B TRPV4 694/4885KHK 2671/4885TTR 432/4885

“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.