SCHEMBL6651807

SCHEMBL6651807

CCc1nc(OC)c(NC(=S)N2CCN(c3cc(C)cc(C)c3)CC2)cc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PHGDH O43175 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP3A4 P08684 5/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 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
SCHEMBL6654532 0.92 MAPT (0.53) MAPTGAAMEN1KMT2APHGDH
SCHEMBL6650847 0.91 MAPT (0.54) MAPTGAAMEN1KMT2APHGDH
SCHEMBL6652000 0.91 KDM4E (0.50) MAPTGAAMEN1KMT2APHGDH
SCHEMBL6650199 0.90 ALDH1A1 (0.51) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL6651041 0.88 MAPT (0.52) MAPTGAAMEN1KMT2APHGDH
SCHEMBL6678066 0.87 PHGDH (0.35) MAPTGAAMEN1KMT2APHGDH
SCHEMBL27534253 0.86 MAPT (0.52) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL7041076 0.85 LMNA (0.35) MAPTGAAMEN1KMT2APHGDH
SCHEMBL6651711 0.84 ALDH1A1 (0.52) MAPTGAAMEN1KMT2APHGDH
SCHEMBL6653887 0.83 PHGDH (0.52) MEN1KMT2APHGDHCYP3A4CYP2C19

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 MAPT 4877/4885GAA 4142/4885MEN1 3862/4885

“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.