SCHEMBL6652246

SCHEMBL6652246

COc1nc(C)c(C)cc1NC(=S)N1CCN(c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 8/20 0.55
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8699629 0.90 KDM4E (0.57) PHGDHCYP3A4CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL6657881 0.89 PHGDH (0.56) PHGDHCYP3A4CYP2C19ALDH1A1MEN1
SCHEMBL6651279 0.89 PHGDH (0.53) PHGDHCYP3A4CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL8702969 0.88 RBP4 (0.49) PHGDHALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL6654161 0.88 PHGDH (0.60) PHGDHCYP3A4CYP2C19ALDH1A1MEN1
SCHEMBL6651805 0.87 CYP3A4 (0.47) PHGDHCYP3A4CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL6651537 0.86 CYP3A4 (0.61) PHGDHCYP3A4CYP2C19ALDH1A1MEN1
SCHEMBL6898499 0.85 PHGDH (0.41) PHGDHCYP3A4CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL6655344 0.85 KMT2A (0.50) PHGDHCYP3A4CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL6559686 0.84 PHGDH (0.57) PHGDHCYP3A4CYP2C19ALDH1A1SMN1; 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 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.