SCHEMBL6673181

SCHEMBL6673181

COC(=O)c1cc(NC(=NO)N2CCN(c3cc(F)cc(F)c3)CC2)c(OC)nc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
KMT2A Q03164 5/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CCKAR P32238 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6676226 0.93 SETD2 (0.35) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL6676075 0.90 GAA (0.40) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL6679165 0.90 KMT2A (0.42) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL6672611 0.90 CYP3A4 (0.32) MAPTKDM4EALDH1A1CYP3A4CYP2C19
SCHEMBL6672631 0.88 MAPT (0.38) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL6675499 0.88 MAPT (0.49) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL6673391 0.88 MAPT (0.42) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL6894906 0.87 P2RX7 (0.36) MAPTALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL6651186 0.87 MAPT (0.53) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL6671809 0.86 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1SMN1; SMN2CYP3A4

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 4877/4885KDM4E 2023/4885ALDH1A1 58/4885

“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.