SCHEMBL13927273

SCHEMBL13927273

CCCCn1c(O)c(N=Nc2nnc(C(F)(F)F)[nH]2)c(C)c(C#N)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.38
MEN1 O00255 11/20 0.38
KMT2A Q03164 11/20 0.38
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 6/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
ALPG P10696 3/20 0.36
ALPL P05186 2/20 0.36
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MITF O75030 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CTSK P43235 1/20 0.32
USP2 O75604 1/20 0.31
RAB9A P51151 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
SCHEMBL12034331 0.76 MAPT (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9011514 0.75 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10106249 0.74 MAPT (0.38) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL12513974 0.74 MAPT (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10105996 0.74 MAPT (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14227964 0.74 MEN1 (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13397765 0.73 MAPT (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9816832 0.73 KMT2A (0.66) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13398012 0.73 MAPT (0.42) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14267906 0.72 KMT2A (0.53) MAPTMEN1KMT2AALDH1A1KDM4E

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-20090053455-A1 OPTICAL RECORDING MEDIUM, METAL COMPLEX COMPOUND AND ORGANIC DYE COMPOUND MITSUBISHI KAGAKU MEDIA CO., LTD (JP) 2009-02-26 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-20090053455-A1 OPTICAL RECORDING MEDIUM, METAL COMPLEX COMPOUND AND ORGANIC DYE COMPOUND KCNJ2, KCNN2, KCNN3 MAPT 1230/4885MEN1 800/4885KMT2A 1501/4885

“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.