SCHEMBL6134481

SCHEMBL6134481

CC1(C)COC2(CCC(N3CCN(c4ccc(-c5nnc(-c6ccc(C(=O)O)cc6)s5)cc4)CC3)CC2)OC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CSNK2A2 P19784 4/20 0.39
CSNK2A1 P68400 4/20 0.39
USP2 O75604 1/20 0.39
CHEK1 O14757 2/20 0.38
WNT3A P56704 4/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CSNK2B P67870 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
PPARA Q07869 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
SCHEMBL6135137 0.91 HRH3 (0.45) HRH3MEN1KMT2ACSNK2A2CSNK2A1
SCHEMBL6135117 0.90 HRH3 (0.42) HRH3MEN1KMT2AUSP2WNT3A
SCHEMBL6134820 0.82 HRH3 (0.47) HRH3MEN1KMT2ACSNK2A2CSNK2A1
SCHEMBL6134683 0.82 HDAC3 (0.41) HRH3MEN1KMT2AWNT3A
SCHEMBL6135547 0.82 HRH3 (0.52) HRH3MEN1KMT2ACSNK2A2CSNK2A1
SCHEMBL6134229 0.81 HRH3 (0.44) HRH3MEN1KMT2AUSP2WNT3A
SCHEMBL6135370 0.81 USP2 (0.55) HRH3MEN1KMT2ACSNK2A2CSNK2A1
SCHEMBL6135376 0.81 USP2 (0.55) HRH3MEN1KMT2ACSNK2A2CSNK2A1
SCHEMBL6134222 0.81 HRH3 (0.53) HRH3MEN1KMT2ACSNK2A2CSNK2A1
SCHEMBL6134406 0.81 HRH3 (0.53) HRH3MEN1KMT2ACSNK2A2CSNK2A1

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 HRH3 1440/4885MEN1 880/4885KMT2A 4492/4885

“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.