SCHEMBL6675909

SCHEMBL6675909

COc1cc(OC)cc(N2CCN(C(=Nc3cc(C(C)=O)c(C)nc3OC)NO)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.40
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
PIM1 P11309 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
LCK P06239 1/20 0.34
KDR P35968 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL6679160 0.92 PHGDH (0.40) PHGDHHSD17B10KMT2AMEN1LMNA
SCHEMBL6675105 0.91 LMNA (0.37) PHGDHHSD17B10KMT2AMEN1LMNA
SCHEMBL6677259 0.90 RXFP1 (0.47) HSD17B10KMT2AMEN1LMNAMAPK1
SCHEMBL6675144 0.90 MAPT (0.39) HSD17B10KMT2AMEN1LMNAMAPK1
SCHEMBL6673426 0.90 PHGDH (0.39) PHGDHHSD17B10KMT2AMEN1LMNA
SCHEMBL6676221 0.90 RXFP1 (0.34) HSD17B10KMT2AMEN1LMNARXFP1
SCHEMBL6672608 0.87 PHGDH (0.43) PHGDHHSD17B10KMT2AMEN1LMNA
SCHEMBL6678302 0.85 PHGDH (0.40) PHGDHHSD17B10KMT2ALMNAMAPK1
SCHEMBL6676870 0.83 PHGDH (0.40) PHGDHHSD17B10KMT2AMEN1L3MBTL1
SCHEMBL6676074 0.83 GAA (0.40) PHGDHHSD17B10KMT2AMEN1LMNA

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 PHGDH 2923/4885HSD17B10 1124/4885KMT2A 2664/4885

“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.