SCHEMBL6894906

SCHEMBL6894906

COc1nc(C)c(C)cc1NC(=NO)N1CCN(c2cc(F)cc(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PHGDH O43175 5/20 0.34
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SETD2 Q9BYW2 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOB P27338 1/20 0.31
TTR P02766 1/20 0.31
MC4R P32245 1/20 0.31

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
SCHEMBL6673169 0.91 CYP3A4 (0.36) P2RX7CYP3A4CYP2C19PHGDHHSD17B10
SCHEMBL6675980 0.89 PHGDH (0.41) CYP3A4CYP2C19PHGDHHSD17B10ALDH1A1
SCHEMBL6672614 0.88 PHGDH (0.45) CYP3A4CYP2C19PHGDHHSD17B10ALDH1A1
SCHEMBL6672611 0.88 CYP3A4 (0.32) P2RX7CYP3A4CYP2C19PHGDHHSD17B10
SCHEMBL6671809 0.88 ALDH1A1 (0.36) P2RX7CYP3A4CYP2C19PHGDHHSD17B10
SCHEMBL6675236 0.88 CYP3A4 (0.32) P2RX7CYP3A4CYP2C19PHGDHHSD17B10
SCHEMBL6898499 0.88 PHGDH (0.41) CYP3A4CYP2C19PHGDHHSD17B10ALDH1A1
SCHEMBL6674865 0.87 CYP3A4 (0.32) P2RX7CYP3A4CYP2C19PHGDHHSD17B10
SCHEMBL6676226 0.87 SETD2 (0.35) P2RX7CYP2C19HSD17B10ALDH1A1LMNA
SCHEMBL6673181 0.87 MAPT (0.40) CYP3A4CYP2C19ALDH1A1LMNAMAPT

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 P2RX7 1517/4885CYP3A4 339/4885CYP2C19 1186/4885

“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.