SCHEMBL13231573

SCHEMBL13231573

CC1(C)c2ccccc2N(CCN2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.68
CYP2D6 P10635 3/20 0.68
CYP1A2 P05177 1/20 0.68
LMNA P02545 6/20 0.46
HTT P42858 4/20 0.46
MAPT P10636 8/20 0.42
TP53 P04637 2/20 0.41
MEN1 O00255 5/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
THRB P10828 2/20 0.40
RECQL P46063 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR2A P28223 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL28501538 0.90 KMT2A (0.62) KMT2ACYP2D6CYP1A2LMNAHTT
SCHEMBL17739604 0.86 KMT2A (0.68) KMT2ACYP2D6CYP1A2LMNAHTT
SCHEMBL13262462 0.86 KMT2A (0.58) KMT2ACYP2D6CYP1A2LMNAHTT
SCHEMBL29929850 0.84 KMT2A (0.56) KMT2ACYP2D6CYP1A2LMNAHTT
SCHEMBL17206409 0.84 KMT2A (0.56) KMT2ACYP2D6CYP1A2LMNAHTT
SCHEMBL16147746 0.83 KMT2A (0.55) KMT2ACYP2D6CYP1A2LMNAHTT
SCHEMBL29025681 0.83 CYP2D6 (0.64) KMT2ACYP2D6CYP1A2LMNAHTT
Dimetacrine SCHEMBL50120 0.82 CYP2D6 (1.00) KMT2ACYP2D6CYP1A2LMNAMAPT
Monometacrine SCHEMBL2109612 0.82 KMT2A (0.62) KMT2ACYP2D6CYP1A2LMNAHTT
Dimetacrine SCHEMBL29578094 0.82 CYP2D6 (1.00) KMT2ACYP2D6CYP1A2LMNAMAPT

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-20100171417-A1 CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2010-07-08 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-20100171417-A1 CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLC67A1, SLC26A3 KMT2A 2827/4885CYP2D6 3082/4885CYP1A2 2817/4885

“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.