SCHEMBL6898814

SCHEMBL6898814

COc1cc(C)c(C)cc1NC(=NO)N1CCN(c2cc(C)cc(C)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 1/20 0.42
PHGDH O43175 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 4/20 0.38
POLB P06746 1/20 0.38
RBP4 P02753 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6899041 0.89 CYP3A4 (0.52) CYP3A4CYP2C19MEN1KMT2AMAPT
SCHEMBL6898372 0.89 CYP3A4 (0.47) CYP3A4CYP2C19PHGDHMEN1KMT2A
SCHEMBL6897464 0.89 CYP3A4 (0.42) CYP3A4CYP2C19PHGDHMEN1KMT2A
SCHEMBL6896916 0.88 ALDH1A1 (0.40) CYP3A4CYP2C19MEN1KMT2AMAPT
SCHEMBL6897563 0.87 KMT2A (0.52) CYP3A4CYP2C19MEN1KMT2AMAPT
SCHEMBL6960605 0.83 RBP4 (0.54) KMT2APKMMAPTKDM4ELMNA
SCHEMBL6786898 0.83 CYP3A4 (0.55) CYP3A4CYP2C19PHGDHMEN1KMT2A
SCHEMBL6896729 0.82 KMT2A (0.52) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL6897989 0.82 KMT2A (0.41) CYP3A4CYP2C19MEN1KMT2APKM
SCHEMBL6675980 0.82 PHGDH (0.41) CYP3A4CYP2C19PHGDHMEN1KMT2A

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 CYP3A4 339/4885CYP2C19 1186/4885PHGDH 2923/4885

“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.