SCHEMBL12437868

SCHEMBL12437868

CC(C)(C)C(O)C(C/C=C/c1ccccc1)n1cncn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 1/20 0.42
HSP90AA1 P07900 2/20 0.41
POLB P06746 1/20 0.41
CYP19A1 P11511 2/20 0.40
HTR2A P28223 3/20 0.38
CYP26A1 O43174 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL12437870 0.84 KMT2A (0.48) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL10669426 0.81 MEN1 (0.49) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL10669435 0.81 MEN1 (0.49) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL10368769 0.78 MEN1 (0.76) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL2214289 0.77 KMT2A (0.48) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL1967461 0.77 KMT2A (0.48) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL12418543 0.76 MEN1 (0.58) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL10943652 0.75 KMT2A (0.54) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL10364639 0.75 MEN1 (0.57) KMT2AMEN1TDP1MAPTHSP90AA1
SCHEMBL12418678 0.74 MEN1 (0.56) KMT2AMEN1TDP1MAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177950-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same BASF SE (DE) 2011-07-21 US disclosed
US-20110177950-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same BASF SE (DE) 2011-07-21 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-20110177950-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same COX4I1, CYP2C19, CYP3A43 KMT2A 1323/4885MEN1 986/4885TDP1 688/4885

“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.