SCHEMBL6896447

SCHEMBL6896447

CCCCc1ccc(N2CCN(C(=NO)Nc3cc(C)c(C)nc3OC)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.41
PDGFRB P09619 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 4/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PHGDH O43175 1/20 0.36
ME2 P23368 1/20 0.36
ME1 P48163 1/20 0.36
ME3 Q16798 1/20 0.36
PANK3 Q9H999 1/20 0.35
S1PR1 P21453 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GFER P55789 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6652041 0.88 CYP3A4 (0.49) CYP3A4CYP2C19PDGFRBMEN1KMT2A
SCHEMBL6675426 0.86 CYP3A4 (0.48) CYP3A4CYP2C19MAPTPHGDHHSD17B10
SCHEMBL6672092 0.85 HSD17B10 (0.43) CYP3A4CYP2C19MEN1KMT2AMAPT
SCHEMBL6672614 0.83 PHGDH (0.45) CYP3A4CYP2C19MEN1KMT2APHGDH
SCHEMBL6672133 0.82 CYP3A4 (0.35) CYP3A4CYP2C19PHGDHHSD17B10
SCHEMBL6672741 0.82 PDGFRB (0.36) CYP3A4CYP2C19PDGFRBMEN1KMT2A
SCHEMBL6675980 0.81 PHGDH (0.41) CYP3A4CYP2C19MEN1KMT2APHGDH
SCHEMBL6898499 0.80 PHGDH (0.41) CYP3A4CYP2C19PDGFRBMEN1KMT2A
SCHEMBL6894906 0.80 P2RX7 (0.36) CYP3A4CYP2C19MAPTHTTPHGDH
SCHEMBL8699472 0.79 PDGFRB (0.47) PDGFRBMEN1KMT2AMAPTHTT

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 1186/4885PDGFRB 278/4885

“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.