SCHEMBL6673642

SCHEMBL6673642

CCc1nc(OC)c(N=C(NO)N2CCN(c3ccccc3SC)CC2)cc1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
DRD2 P14416 5/20 0.35
HTR1A P08908 3/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 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
SCHEMBL6673420 0.92 KMT2A (0.36) THRBNPC1RAB9AKMT2AL3MBTL1
SCHEMBL6678709 0.86 DRD2 (0.35) THRBNPC1RAB9ADRD2HTR1A
SCHEMBL6675013 0.86 DRD2 (0.35) THRBNPC1RAB9ADRD2HTR1A
SCHEMBL6675441 0.85 RAB9A (0.36) NPC1RAB9ADRD2HTR1AKMT2A
SCHEMBL6679148 0.84 KMT2A (0.37) KMT2AL3MBTL1MEN1CYP2C19HTT
SCHEMBL6674879 0.83 MAPT (0.39) THRBNPC1RAB9AKMT2AL3MBTL1
SCHEMBL6678774 0.82 TP53 (0.36) NPC1KMT2AMEN1CYP2C19MAPT
SCHEMBL6678058 0.82 LMNA (0.34) THRBNPC1RAB9AKMT2AL3MBTL1
SCHEMBL6675058 0.82 KMT2A (0.34) NPC1RAB9ADRD2HTR1AKMT2A
SCHEMBL6672628 0.82 KMT2A (0.37) THRBKMT2AMEN1CYP2C19HTT

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 THRB 3810/4885NPC1 287/4885RAB9A 2925/4885

“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.