SCHEMBL6674884

SCHEMBL6674884

CCc1nc(OC)c(NC(=NO)N2CCN(c3ccc(C)cc3)CC2)cc1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.40
MAPT P10636 8/20 0.40
KMT2A Q03164 4/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C19 P33261 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
CYP2C9 P11712 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
SCHEMBL6678066 0.92 PHGDH (0.35) MAPTKMT2AMAPK1CYP2C19L3MBTL1
SCHEMBL6679154 0.90 MAPT (0.41) MAPTKMT2AMAPK1CYP2C19L3MBTL1
SCHEMBL6673391 0.89 MAPT (0.42) GFERMAPTKMT2AMAPK1CYP2C19
SCHEMBL6678777 0.88 PHGDH (0.37) MAPTKMT2AMAPK1CYP2C19L3MBTL1
SCHEMBL6672631 0.88 MAPT (0.38) MAPTKMT2AMAPK1CYP2C19L3MBTL1
SCHEMBL6654532 0.87 MAPT (0.53) MAPTKMT2ACYP2C19CYP3A4LMNA
SCHEMBL6673425 0.86 KMT2A (0.40) MAPTKMT2AMAPK1L3MBTL1LMNA
SCHEMBL6679260 0.85 CYP3A4 (0.41) GFERMAPTCYP2C19CYP3A4LMNA
SCHEMBL7039443 0.84 MAPT (0.40) GFERMAPTKMT2AMAPK1CYP2C19
SCHEMBL6675149 0.83 CYP2C19 (0.42) GFERMAPTKMT2AMAPK1CYP2C19

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 GFER 1199/4885MAPT 4877/4885KMT2A 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.