SCHEMBL22995437

SCHEMBL22995437

CCOC(=O)C(C#N)c1nc(C)cc(C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.56
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.49
KDM4E B2RXH2 6/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 1/20 0.38
RAB9A P51151 1/20 0.38
GLA P06280 2/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL22995212 0.90 KMT2A (0.55) HTTKMT2AMEN1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL78256 0.85 ALDH1A1 (0.46) HTTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL9902864 0.83 SMN1; SMN2 (0.48) HTTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL22995517 0.82 KMT2A (0.49) HTTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL11395624 0.82 KMT2A (0.49) HTTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL22995234 0.82 KMT2A (0.47) HTTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL17835422 0.81 HTT (0.40) HTTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL22995220 0.81 SMN1; SMN2 (0.48) HTTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL7652517 0.78 HTT (0.51) HTTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL22995348 0.77 KMT2A (0.58) HTTKMT2AMEN1SMN1; SMN2GAA

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 HTT 3922/4885KMT2A 2401/4885MEN1 3870/4885

“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.