SCHEMBL2162541

SCHEMBL2162541

Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCN3CCOCC3)cc12

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.90
MEN1 O00255 1/20 0.76
THRB P10828 1/20 0.65
PIK3CA P42336 1/20 0.62
MAPT P10636 2/20 0.61
TP53 P04637 2/20 0.61
POLB P06746 1/20 0.57

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
SCHEMBL2161707 0.94 KMT2A (1.00) KMT2AMEN1THRBMAPTTP53
SCHEMBL2161840 0.92 KMT2A (0.76) KMT2AMEN1THRBMAPTPOLB
SCHEMBL2161568 0.92 KMT2A (0.90) KMT2AMEN1MAPTTP53POLB
SCHEMBL2162315 0.91 KMT2A (0.76) KMT2AMEN1PIK3CAMAPTTP53
SCHEMBL2161708 0.90 KMT2A (0.74) KMT2AMEN1THRBMAPTTP53
SCHEMBL14121945 0.89 PPARG (0.73) KMT2AMEN1
SCHEMBL2161514 0.86 KMT2A (1.00) KMT2AMEN1MAPTTP53
SCHEMBL2162127 0.86 KMT2A (0.84) KMT2AMEN1THRBMAPTTP53
SCHEMBL2161696 0.86 KMT2A (0.84) KMT2AMEN1THRBMAPTTP53
SCHEMBL2162556 0.85 KMT2A (0.85) KMT2AMEN1PIK3CAMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985764-B2 Amide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-26 US disclosed
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-05 US disclosed
EP-1988076-A1 AMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-05 EP 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-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF HTR7, HTR2B, NPSR1 KMT2A 2331/4885MEN1 3828/4885THRB 412/4885

“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.