SCHEMBL6674580

SCHEMBL6674580

COc1cc(OC)cc(N2CCN(C(=NO)Nc3cc4ccccc4nc3OC)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
PHGDH O43175 2/20 0.42
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CCKAR P32238 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
NAMPT P43490 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6672235 0.91 PHGDH (0.39) GAAPHGDHHSD17B10KMT2ACYP3A4
SCHEMBL6673925 0.90 CCKAR (0.38) GAAPHGDHHSD17B10KMT2AMEN1
SCHEMBL6960617 0.86 KMT2A (0.53) GAAHSD17B10KMT2APOLBHTT
SCHEMBL6652797 0.86 PHGDH (0.55) GAAPHGDHKMT2ACYP3A4CYP2C19
SCHEMBL6686211 0.86 KMT2A (0.46) GAAKMT2AMEN1POLBHTT
SCHEMBL6674877 0.84 RAB9A (0.50) GAAPHGDHKMT2ACYP3A4CYP2C19
SCHEMBL6672614 0.84 PHGDH (0.45) PHGDHHSD17B10KMT2ACYP3A4CYP2C19
SCHEMBL6676875 0.81 PHGDH (0.42) GAAPHGDHHSD17B10KMT2ACYP3A4
SCHEMBL6678312 0.81 PHGDH (0.42) GAAPHGDHHSD17B10KMT2ACYP3A4
SCHEMBL6673429 0.81 PHGDH (0.42) PHGDHHSD17B10KMT2ACYP3A4CYP2C19

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 GAA 4142/4885PHGDH 2923/4885HSD17B10 1124/4885

“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.