SCHEMBL6672741

SCHEMBL6672741

CCCCc1ccc(N2CCN(C(=Nc3cc(C)c(C)nc3OC)NO)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.36
ME2 P23368 1/20 0.36
ME1 P48163 1/20 0.36
ME3 Q16798 1/20 0.36
S1PR1 P21453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 3/20 0.35
CYP3A4 P08684 3/20 0.35
MAPT P10636 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
PHGDH O43175 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP28 Q96RU2 1/20 0.33
USP25 Q9UHP3 1/20 0.33

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
SCHEMBL6675422 0.86 CYP3A4 (0.41) HSD17B10CYP3A4MAPTCYP2C19KDM4E
SCHEMBL6672088 0.85 HSD17B10 (0.43) HSD17B10HTTCYP3A4MAPTCYP2C19
SCHEMBL6672608 0.83 PHGDH (0.43) HSD17B10CYP3A4MAPTCYP2C19LMNA
SCHEMBL6672125 0.82 HSD17B10 (0.32) HSD17B10PHGDH
SCHEMBL6896447 0.82 CYP3A4 (0.41) PDGFRBME2ME1ME3S1PR1
SCHEMBL6675972 0.81 PHGDH (0.38) HSD17B10CYP3A4CYP2C19LMNAPOLB
SCHEMBL6898497 0.80 PHGDH (0.39) PDGFRBHSD17B10HTTMAPTKDM4E
SCHEMBL6894905 0.80 HSD17B10 (0.33) HSD17B10HTTCYP3A4MAPTCYP2C19
SCHEMBL6676264 0.79 KMT2A (0.39) HSD17B10CYP3A4MAPTCYP2C19LMNA
SCHEMBL6652041 0.79 CYP3A4 (0.49) PDGFRBHTTCYP3A4MAPTCYP2C19

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 PDGFRB 278/4885ME2 2305/4885ME1 916/4885

“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.