SCHEMBL12034331

SCHEMBL12034331

CCCCn1c(O)c(N=Nc2nnc(C)s2)c(C)c(C#N)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.41
KMT2A Q03164 12/20 0.41
MEN1 O00255 10/20 0.41
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 6/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
PKM P14618 1/20 0.37
MITF O75030 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
GRM2 Q14416 1/20 0.32
ALPL P05186 2/20 0.32
ALPG P10696 2/20 0.32
LMNA P02545 1/20 0.31
ABCB1 P08183 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
SCHEMBL12034326 0.78 MAPT (0.39) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9011514 0.78 MEN1 (0.46) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL10105996 0.77 MAPT (0.39) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL14227964 0.77 MEN1 (0.45) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL13397765 0.77 MAPT (0.41) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9816832 0.76 KMT2A (0.66) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL10171657 0.76 MEN1 (0.38) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL13398012 0.76 MAPT (0.42) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL13927273 0.76 MAPT (0.38) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL14267906 0.75 KMT2A (0.53) MAPTKMT2AMEN1KDM4EALDH1A1

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
US-8309196-B2 Optical recording medium, optical recording material and metal complex compound MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2012-11-13 US disclosed
US-20110311752-A1 OPTICAL RECORDING MEDIUM, OPTICAL RECORDING MATERIAL AND METAL COMPLEX COMPOUND MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2011-12-22 US disclosed
US-20090263611-A1 OPTICAL RECORDING MEDIUM, OPTICAL RECORDING MATERIAL AND METAL COMPLEX COMPOUND MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2009-10-22 US disclosed
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 1230/4885KMT2A 1501/4885MEN1 800/4885

“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.