SCHEMBL6675426

SCHEMBL6675426

COc1nc(C)c(C)cc1NC(=NO)N1CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 2/20 0.42
PHGDH O43175 2/20 0.40
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.37
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6672092 0.92 HSD17B10 (0.43) CYP3A4CYP2C19LMNAHSD17B10ALDH1A1
SCHEMBL6674132 0.91 CYP3A4 (0.47) CYP3A4CYP2C19LMNAPHGDHGFER
SCHEMBL6675980 0.90 PHGDH (0.41) CYP3A4CYP2C19LMNAPHGDHHSD17B10
SCHEMBL6672614 0.89 PHGDH (0.45) CYP3A4CYP2C19LMNAPHGDHHSD17B10
SCHEMBL6675122 0.88 CYP3A4 (0.43) CYP3A4CYP2C19LMNAPHGDHGFER
SCHEMBL6677580 0.87 CYP3A4 (0.42) CYP3A4CYP2C19LMNAPHGDHGFER
SCHEMBL6675149 0.87 CYP2C19 (0.42) CYP3A4CYP2C19LMNAPHGDHGFER
SCHEMBL6673391 0.87 MAPT (0.42) CYP3A4CYP2C19LMNAGFERHSD17B10
SCHEMBL6896447 0.86 CYP3A4 (0.41) CYP3A4CYP2C19LMNAPHGDHGFER
SCHEMBL6898499 0.86 PHGDH (0.41) CYP3A4CYP2C19LMNAPHGDHHSD17B10

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 CYP3A4 339/4885CYP2C19 1186/4885LMNA 3343/4885

“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.