SCHEMBL6687937

SCHEMBL6687937

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 7/20 0.36
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 1/20 0.34
SUV39H2 Q9H5I1 2/20 0.33
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
P2RY12 Q9H244 1/20 0.30

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
SCHEMBL6679260 0.92 CYP3A4 (0.41) PHGDHCYP3A4CYP2C19LMNAHSD17B10
SCHEMBL6671888 0.91 PHGDH (0.39) PHGDHCYP3A4CYP2C19MEN1KMT2A
SCHEMBL7057405 0.91 LMNA (0.32) CYP3A4CYP2C19LMNA
SCHEMBL6678200 0.90 HTT (0.31)
SCHEMBL6673063 0.90 PHGDH (0.38) PHGDHSUV39H2MEN1KMT2A
SCHEMBL6896769 0.89 PHGDH (0.38) PHGDHCYP3A4CYP2C19SUV39H2MEN1
SCHEMBL6674781 0.87 PHGDH (0.38) PHGDHCYP3A4CYP2C19MEN1PKM
SCHEMBL6678066 0.85 PHGDH (0.35) PHGDHCYP3A4CYP2C19MEN1KMT2A
SCHEMBL6677283 0.84 KMT2A (0.38) KMT2ALMNAHSD17B10
SCHEMBL6685222 0.82 LMNA (0.31) LMNA

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 2923/4885CYP3A4 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.