SCHEMBL6677571

SCHEMBL6677571

COc1nc(C)c(C(C)O)cc1N=C(NO)N1CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 1/20 0.36
PHGDH O43175 1/20 0.35
GFER P55789 2/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL6676120 0.92 HSD17B10 (0.40) LMNAHSD17B10MAPTMEN1KMT2A
SCHEMBL6675523 0.91 PHGDH (0.35) LMNAHSD17B10CYP3A4PHGDHMEN1
SCHEMBL6674794 0.90 PHGDH (0.40) LMNAHSD17B10CYP3A4CYP2C19PHGDH
SCHEMBL6674854 0.88 ADAMTS4 (0.31) HSD17B10
SCHEMBL6675422 0.87 CYP3A4 (0.41) LMNAHSD17B10CYP3A4CYP2C19PHGDH
SCHEMBL6675116 0.83 LMNA (0.37) LMNAHSD17B10CYP3A4CYP2C19PHGDH
SCHEMBL6675144 0.83 MAPT (0.39) LMNAHSD17B10CYP2C19GFERNPC1
SCHEMBL6674969 0.83 PHGDH (0.35) LMNAHSD17B10CYP3A4PHGDHMEN1
SCHEMBL6673384 0.83 GAA (0.39) LMNAHSD17B10CYP2C19GFERNPC1
SCHEMBL6676096 0.83 KMT2A (0.32) HSD17B10CYP3A4CYP2C19PHGDHNPC1

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 LMNA 3343/4885HSD17B10 1124/4885CYP3A4 339/4885

“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.