SCHEMBL6135046

SCHEMBL6135046

CC1(C)COC2(CCC(N3CCN(c4ccc(C(=O)NN)cc4)CC3)CC2)OC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ALOX15 P16050 1/20 0.41
HDAC3 O15379 5/20 0.39
HDAC8 Q9BY41 5/20 0.39
HRH3 Q9Y5N1 2/20 0.39
MBTD1 Q05BQ5 1/20 0.38
TP53BP1 Q12888 1/20 0.38
L3MBTL4 Q8NA19 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37

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
SCHEMBL6134210 0.89 MEN1 (0.46) KMT2AMEN1ITGB3ITGA2BALOX15
SCHEMBL6135040 0.86 SMN1; SMN2 (0.43) KMT2AMEN1HDAC3HDAC8MBTD1
SCHEMBL6134698 0.83 ALDH1A1 (0.47) KMT2AMEN1ITGB3ITGA2BMAPT
SCHEMBL6135305 0.79 HRH3 (0.51) KMT2AMEN1ITGB3ITGA2BALOX15
SCHEMBL6134717 0.79 ITGB3 (0.52) KMT2AMEN1ITGB3ITGA2BALOX15
SCHEMBL6132283 0.78 MEN1 (0.55) KMT2AMEN1ITGB3ITGA2BALOX15
SCHEMBL6134192 0.78 ITGB3 (0.51) KMT2AMEN1ITGB3ITGA2BALOX15
SCHEMBL6134481 0.77 HRH3 (0.44) KMT2AMEN1ITGB3ITGA2BHRH3
SCHEMBL6135117 0.77 HRH3 (0.42) KMT2AMEN1HRH3MAPTALDH1A1
SCHEMBL6134440 0.76 KMT2A (0.45) KMT2AMEN1ALOX15HDAC3HDAC8

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-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 KMT2A 4492/4885MEN1 880/4885ITGB3 1732/4885

“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.