SCHEMBL15425916

SCHEMBL15425916

CC(C)Nc1c(F)c(F)c(C#N)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL6284346 0.78 KDM4E (0.40) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL57543 0.72 TRPV4 (0.41) MAPK1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL10827797 0.71 KDM4E (0.31) KDM4ESMN1; SMN2
Methyl Alcohol SCHEMBL2775838 0.70 TRPV4 (0.36) MAPK1KDM4EMEN1MAPTKMT2A
SCHEMBL20223494 0.70 KDM4E (0.36) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL11063464 0.70 TRPV4 (0.30)
SCHEMBL3632823 0.70 CA12 (0.41) MAPK1HTTKDM4EMEN1MAPT
SCHEMBL15426818 0.70 ADORA2A (0.35) KDM4E
SCHEMBL31612588 0.69 TRPV4 (0.39) MAPK1MEN1MAPTKMT2ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL27947136 0.69 TRPV4 (0.39) MAPK1MEN1MAPTKMT2ASMN1; SMN2

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-20140018566-A1 PALLADIUM(II)-CATALYZED SELECTIVE FLUORINATION OF BENZOIC ACIDS AND DERIVATIVES THE SCRIPPS RESEARCH INSTITUTE (US) 2014-01-16 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-20140018566-A1 PALLADIUM(II)-CATALYZED SELECTIVE FLUORINATION OF BENZOIC ACIDS AND DERIVATIVES AHR, DDT, AOC2 F2 223/4885LMNA 3776/4885MAPK1 1953/4885

“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.