SCHEMBL6898499

SCHEMBL6898499

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 5/20 0.41
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RBP4 P02753 1/20 0.36
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
PDGFRB P09619 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
TP53 P04637 1/20 0.33
SMO Q99835 1/20 0.32
UCHL3 P15374 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6675980 0.89 PHGDH (0.41) PHGDHCYP3A4CYP2C19HSD17B10KMT2A
SCHEMBL6675867 0.89 PHGDH (0.39) PHGDHCYP3A4CYP2C19RBP4MAPT
SCHEMBL6672614 0.88 PHGDH (0.45) PHGDHCYP3A4CYP2C19HSD17B10KMT2A
SCHEMBL6894906 0.88 P2RX7 (0.36) PHGDHCYP3A4CYP2C19MAPTSMN1; SMN2
SCHEMBL6672092 0.86 HSD17B10 (0.43) CYP3A4CYP2C19RBP4MAPTSMN1; SMN2
SCHEMBL6675426 0.86 CYP3A4 (0.48) PHGDHCYP3A4CYP2C19MAPTHSD17B10
SCHEMBL8702969 0.86 RBP4 (0.49) PHGDHRBP4MAPTSMN1; SMN2KMT2A
SCHEMBL6672133 0.86 CYP3A4 (0.35) PHGDHCYP3A4CYP2C19HSD17B10
SCHEMBL6672556 0.85 KMT2A (0.38) CYP3A4CYP2C19MAPTSMN1; SMN2KMT2A
SCHEMBL6652246 0.85 PHGDH (0.55) PHGDHCYP3A4CYP2C19MAPTSMN1; SMN2

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 PHGDH 2923/4885CYP3A4 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.