SCHEMBL12489653

SCHEMBL12489653

CCCCCCCCCC(CCCCCCC)C(=O)Nc1c(C)cc(C)c(N)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CA2 P00918 6/20 0.41
CA1 P00915 5/20 0.41
HDAC8 Q9BY41 5/20 0.40
HDAC3 O15379 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SOAT1 P35610 1/20 0.37
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL25732343 0.73 LMNA (0.52) LMNACA2CA1CA7CA14
SCHEMBL15401983 0.73 CYP2C19 (0.46) LMNAALDH1A1MAPTPOLB
SCHEMBL8856463 0.69 KDM4E (0.63) SOAT1MAPT
SCHEMBL20421907 0.69 L3MBTL1 (0.56) LMNAMEN1KMT2A
SCHEMBL23430657 0.69 MAPT (0.56) LMNACA2CA1HDAC8HDAC3
SCHEMBL1820404 0.69 LMNA (0.48) LMNACA2CA1HDAC8HDAC3
SCHEMBL8616897 0.69 MEN1 (0.50) LMNACA2CA1HDAC8HDAC3
SCHEMBL9163890 0.68 HDAC8 (0.47) LMNACA2CA1HDAC8HDAC3
SCHEMBL19965732 0.68 KLK7 (0.53) LMNAALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL11488933 0.68 CA1 (0.55) LMNACA2CA1HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686384-A1 WATER-INSOLUBLE COLORING COMPOUND, INK, RESIST COMPOSITION FOR COLOR FILTER, AND THERMAL TRANSFER RECORDING SHEET Canon Kabushiki Kaisha (JP) 2014-01-22 EP disclosed
US-20140005417-A1 WATER-INSOLUBLE COLORING COMPOUND, INK, RESIST COMPOSITION FOR COLOR FILTER, AND THERMAL TRANSFER RECORDING SHEET CANON KABUSHIKI KAISHA (JP) 2014-01-02 US disclosed
US-20140004458-A1 MAGENTA TONER CANON KABUSHIKI KAISHA (JP) 2014-01-02 US disclosed
WO-2012124792-A1 WATER-INSOLUBLE COLORING COMPOUND, INK, RESIST COMPOSITION FOR COLOR FILTER, AND THERMAL TRANSFER RECORDING SHEET CANON KABUSHIKI KAISHA (JP) 2012-09-20 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-20140005417-A1 WATER-INSOLUBLE COLORING COMPOUND, INK, RESIST COMPOSITION FOR COLOR FILTER, AND THERMAL TRANSFER RECORDING SHEET SMARCA2, SMARCD2, SMARCA1 LMNA 2497/4885CA2 2299/4885CA1 2672/4885

“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.