SCHEMBL6675149

SCHEMBL6675149

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 3/20 0.41
GFER P55789 3/20 0.41
LMNA P02545 4/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PHGDH O43175 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
SCHEMBL6677266 0.92 RXFP1 (0.47) CYP2C19CYP3A4MAPTALDH1A1CYP2C9
SCHEMBL6673391 0.92 MAPT (0.42) CYP2C19CYP3A4MAPTALDH1A1CYP2C9
SCHEMBL6675114 0.91 PHGDH (0.38) CYP2C19CYP3A4MAPTALDH1A1KMT2A
SCHEMBL6675916 0.90 PHGDH (0.42) CYP2C19CYP3A4MAPTALDH1A1KMT2A
SCHEMBL6676226 0.88 SETD2 (0.35) CYP2C19MAPTALDH1A1CYP2C9KMT2A
SCHEMBL6675426 0.87 CYP3A4 (0.48) CYP2C19CYP3A4MAPTALDH1A1CYP2C9
SCHEMBL6675499 0.85 MAPT (0.49) CYP2C19CYP3A4MAPTALDH1A1CYP2C9
SCHEMBL6676075 0.83 GAA (0.40) CYP2C19CYP3A4MAPTALDH1A1CYP2C9
SCHEMBL6675122 0.83 CYP3A4 (0.43) CYP2C19CYP3A4MAPTALDH1A1NPC1
SCHEMBL6674884 0.83 GFER (0.40) CYP2C19CYP3A4MAPTALDH1A1CYP2C9

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 CYP2C19 1186/4885CYP3A4 339/4885MAPT 4877/4885

“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.