SCHEMBL6673063

SCHEMBL6673063

CCc1nc(OC)c(NC(=NO)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1CO

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 3/20 0.38
TP53 P04637 1/20 0.34
SUV39H2 Q9H5I1 6/20 0.34
RBP4 P02753 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR1 P32246 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6671888 0.90 PHGDH (0.39) PHGDHMEN1KMT2A
SCHEMBL6687937 0.90 PHGDH (0.36) PHGDHSUV39H2MEN1KMT2A
SCHEMBL7057405 0.90 LMNA (0.32)
SCHEMBL6678200 0.89 HTT (0.31) SMN1; SMN2
SCHEMBL6675867 0.88 PHGDH (0.39) PHGDHRBP4MEN1KMT2AADAMTS5
SCHEMBL6679260 0.87 CYP3A4 (0.41) PHGDHMAPT
SCHEMBL6678777 0.86 PHGDH (0.37) PHGDHTP53RBP4KMT2AADAMTS5
SCHEMBL6677283 0.85 KMT2A (0.38) RBP4KMT2AMAPT
SCHEMBL6673060 0.81 PHGDH (0.36) PHGDHTP53SUV39H2MEN1KMT2A
SCHEMBL6685222 0.81 LMNA (0.31)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1424072-A1 N'-(pyridin-3-yl)-(4-phenylpiperazin-1-yl)-carboxyimidamide and -iminothiolate derivatives for the treatment of tumors Samjin Pharmaceutical Co., Ltd. (KR) 2004-06-02 EP disclosed
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 2923/4885TP53 2168/4885SUV39H2 3367/4885

“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.