SCHEMBL22336451

SCHEMBL22336451

Cc1cc2c3ccccc3n(C(C)C)c2cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
NPY5R Q15761 5/20 0.47
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.40
RORC P51449 2/20 0.39
GPR3 P46089 1/20 0.39
CDC25A P30304 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
SCHEMBL13049601 0.88 KMT2A (0.50) KMT2AMEN1BCHEACHENPY5R
SCHEMBL21093207 0.86 SMN1; SMN2 (0.38) KMT2AMEN1BCHEACHENPY5R
SCHEMBL150044 0.84 BCHE (0.59) KMT2AMEN1BCHEACHENPY5R
SCHEMBL29780042 0.84 BCHE (0.59) KMT2AMEN1BCHEACHENPY5R
SCHEMBL16696086 0.81 MEN1 (0.54) KMT2AMEN1BCHEACHENPY5R
SCHEMBL22336506 0.81 NR1I2 (0.46) KMT2AMEN1BCHEACHENPY5R
SCHEMBL12050152 0.81 NR1I2 (0.52) KMT2AMEN1BCHEACHENPY5R
SCHEMBL26996620 0.81 MEN1 (0.40) KMT2AMEN1BCHEACHENPY5R
SCHEMBL15458634 0.81 MEN1 (0.58) KMT2AMEN1BCHEACHENPY5R
SCHEMBL7974800 0.80 MEN1 (0.64) KMT2AMEN1BCHEACHENPY5R

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-11877506-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2024-01-16 US disclosed
WO-2020162600-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2020-08-13 WO 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-11877506-B2 Polycyclic aromatic compound F11, C1R, RNF31 KMT2A 2002/4885MEN1 549/4885BCHE 3514/4885

“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.