SCHEMBL6897563

SCHEMBL6897563

COc1cc(C)c(C)cc1NC(=NO)N1CCN(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
POLB P06746 2/20 0.52
RBP4 P02753 1/20 0.51
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.46
ALOX15 P16050 1/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
GFER P55789 1/20 0.43
TSHR P16473 1/20 0.43
SLC1A2 P43004 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6899041 0.91 CYP3A4 (0.52) KMT2AMEN1POLBRBP4MAPT
SCHEMBL6898372 0.88 CYP3A4 (0.47) KMT2AMEN1POLBRBP4MAPT
SCHEMBL6897989 0.88 KMT2A (0.41) KMT2AMEN1POLBRBP4MAPT
SCHEMBL6896729 0.88 KMT2A (0.52) KMT2AMEN1POLBRBP4MAPT
SCHEMBL6898814 0.87 CYP3A4 (0.42) KMT2AMEN1POLBRBP4MAPT
SCHEMBL6896916 0.85 ALDH1A1 (0.40) KMT2AMEN1POLBRBP4MAPT
SCHEMBL6897289 0.84 KMT2A (0.44) KMT2AMEN1RBP4MAPTGAA
SCHEMBL6780561 0.83 MEN1 (0.73) KMT2AMEN1POLBMAPTGAA
SCHEMBL6960722 0.83 RBP4 (0.71) KMT2AMEN1POLBRBP4MAPT
SCHEMBL6672092 0.82 HSD17B10 (0.43) KMT2AMEN1POLBRBP4MAPT

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-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed
US-20030092910-A1 Piperazine derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-05-15 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-20030092910-A1 Piperazine derivatives and process for the preparation thereof CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS KMT2A 2664/4885MEN1 3862/4885POLB 2957/4885

“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.