SCHEMBL6653052

SCHEMBL6653052

CCc1cc(NC(=S)N2CCN(c3cc(OC)cc(OC)c3)CC2)c(OC)nc1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 5/20 0.56
CYP3A4 P08684 4/20 0.49
CYP2C19 P33261 2/20 0.49
LMNA P02545 2/20 0.48
NPC1 O15118 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.45
CYP2C9 P11712 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6962349 0.92 PHGDH (0.54) PHGDHCYP3A4CYP2C19LMNANPC1
SCHEMBL6653887 0.91 PHGDH (0.52) PHGDHCYP3A4CYP2C19LMNANPC1
SCHEMBL6651279 0.90 PHGDH (0.53) PHGDHCYP3A4CYP2C19LMNANPC1
SCHEMBL6651274 0.90 MEN1 (0.54) CYP3A4CYP2C19LMNANPC1MEN1
SCHEMBL6654791 0.89 PHGDH (0.43) PHGDHCYP3A4CYP2C19LMNANPC1
SCHEMBL6960671 0.89 KMT2A (0.47) PHGDHLMNAKMT2APOLBGAA
SCHEMBL6654161 0.87 PHGDH (0.60) PHGDHCYP3A4CYP2C19LMNAMEN1
SCHEMBL8699119 0.86 KDM4E (0.55) PHGDHCYP3A4CYP2C19LMNANPC1
SCHEMBL6678312 0.86 PHGDH (0.42) PHGDHCYP3A4CYP2C19LMNAKMT2A
SCHEMBL6653829 0.86 KMT2A (0.55) PHGDHLMNAMEN1KMT2APKM

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
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
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO 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.