SCHEMBL6652041

SCHEMBL6652041

CCCCc1ccc(N2CCN(C(=S)Nc3cc(C)c(C)nc3OC)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
CYP2C19 P33261 1/20 0.49
PDGFRB P09619 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
PHGDH O43175 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 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
SCHEMBL6896447 0.88 CYP3A4 (0.41) CYP3A4CYP2C19PDGFRBKDM4EMAPT
SCHEMBL27541031 0.87 CYP3A4 (0.52) CYP3A4CYP2C19PHGDHNPC1MEN1
SCHEMBL6651537 0.87 CYP3A4 (0.61) CYP3A4CYP2C19PHGDHMEN1POLB
SCHEMBL6654161 0.83 PHGDH (0.60) CYP3A4CYP2C19HTTPHGDHMEN1
SCHEMBL6657881 0.81 PHGDH (0.56) CYP3A4CYP2C19PHGDHMEN1POLB
SCHEMBL8699472 0.81 PDGFRB (0.47) PDGFRBMAPTHTTNPC1MEN1
SCHEMBL27556985 0.80 MEN1 (0.63) CYP3A4CYP2C19MAPTPHGDHNPC1
SCHEMBL6651805 0.80 CYP3A4 (0.47) CYP3A4CYP2C19KDM4EMAPTPHGDH
SCHEMBL6652246 0.80 PHGDH (0.55) CYP3A4CYP2C19KDM4EMAPTPHGDH
SCHEMBL6953207 0.79 LMNA (0.52) CYP3A4CYP2C19KDM4EMAPTPHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100354271-C Piperazine derivatives and process for the preparation thereof SAMJIN PHARM CO LTD (KR) 2007-12-12 CN disclosed
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
CN-1296477-A Piperazine derivatives and process for the preparation thereof SAMJIN PHARM CO LTD (KR) 2001-05-23 CN 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 CYP3A4 339/4885CYP2C19 1186/4885PDGFRB 278/4885

“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.