SCHEMBL6653379

SCHEMBL6653379

COC(=O)c1cc(NC(=S)N2CCN(c3ccccc3OC)CC2)c(OC)nc1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.57
MAPT P10636 5/20 0.56
GAA P10253 3/20 0.56
ALDH1A1 P00352 5/20 0.54
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL6653957 0.91 KDM4E (0.52) PHGDHMAPTGAAALDH1A1CYP1A2
SCHEMBL6657909 0.88 ALDH1A1 (0.50) PHGDHMAPTGAAALDH1A1CYP1A2
SCHEMBL6654844 0.87 MAPT (0.67) MAPTGAAALDH1A1CYP1A2CYP3A4
SCHEMBL6653315 0.87 PHGDH (0.62) PHGDHMAPTGAAALDH1A1CYP1A2
SCHEMBL6675678 0.87 MAPT (0.46) PHGDHMAPTGAAALDH1A1MEN1
SCHEMBL6652670 0.86 PHGDH (0.58) PHGDHMAPTGAAALDH1A1CYP1A2
SCHEMBL6657915 0.84 SMN1; SMN2 (0.52) MAPTGAAALDH1A1CYP1A2CYP3A4
SCHEMBL7042753 0.84 MAPT (0.47) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL6653788 0.83 MAPT (0.57) PHGDHMAPTGAAALDH1A1CYP1A2
SCHEMBL6651629 0.83 MAPT (0.57) PHGDHMAPTGAAALDH1A1CYP1A2

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 2923/4885MAPT 4877/4885GAA 4142/4885

“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.