SCHEMBL6673391

SCHEMBL6673391

COC(=O)c1cc(NC(=NO)N2CCN(c3ccc(C)cc3)CC2)c(OC)nc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GFER P55789 2/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CCKAR P32238 1/20 0.38

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
SCHEMBL6675499 0.92 MAPT (0.49) MAPTKMT2AL3MBTL1MAPK1CYP3A4
SCHEMBL6675149 0.92 CYP2C19 (0.42) MAPTKMT2AL3MBTL1MAPK1CYP3A4
SCHEMBL6676075 0.91 GAA (0.40) MAPTKMT2AL3MBTL1MAPK1CYP3A4
SCHEMBL6679165 0.90 KMT2A (0.42) MAPTKMT2AL3MBTL1MAPK1CYP3A4
SCHEMBL6674884 0.89 GFER (0.40) MAPTKMT2AL3MBTL1MAPK1CYP3A4
SCHEMBL6673181 0.88 MAPT (0.40) MAPTKMT2AL3MBTL1MAPK1CYP3A4
SCHEMBL6673112 0.87 KDM4E (0.50) MAPTKMT2AMAPK1GAASMN1; SMN2
SCHEMBL6675426 0.87 CYP3A4 (0.48) MAPTL3MBTL1CYP3A4CYP2C19GFER
SCHEMBL6653788 0.86 MAPT (0.57) MAPTCYP3A4CYP2C19GAASMN1; SMN2
SCHEMBL6677266 0.85 RXFP1 (0.47) MAPTKMT2AL3MBTL1CYP3A4CYP2C19

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 MAPT 4877/4885KMT2A 2664/4885L3MBTL1 2717/4885

“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.