SCHEMBL22995348

SCHEMBL22995348

CCOC(=O)C(C#N)c1cc(C(C#N)C(=O)OCC)nc(C(C#N)C(=O)OCC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 2/20 0.58
MEN1 O00255 1/20 0.58
HTT P42858 3/20 0.46
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.40
KDM4E B2RXH2 6/20 0.38
MAPT P10636 5/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
MMP13 P45452 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 7/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSK P43235 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL22995350 0.86 KMT2A (0.57) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL17466005 0.81 MEN1 (0.58) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL15475549 0.81 KMT2A (0.48) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL13681488 0.79 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL15475932 0.79 KMT2A (0.47) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL22995212 0.79 KMT2A (0.55) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL22995437 0.77 HTT (0.56) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL17465799 0.77 GAA (0.58) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL16474263 0.77 KMT2A (0.55) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL9719084 0.77 ALDH1A1 (0.48) KMT2ASMN1; SMN2GAAMEN1HTT

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-20210050527-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME P&H TECH (KR) 2021-02-18 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-20210050527-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, AOX1 KMT2A 2401/4885SMN1; SMN2 3160/4885GAA 1723/4885

“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.