SCHEMBL6744608

SCHEMBL6744608

CC(=O)N(O)CCCOc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.54
MMP3 P08254 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
FDPS P14324 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL10617099 0.83 L3MBTL1 (0.54) MMP2MMP3L3MBTL1
SCHEMBL6742053 0.83 KDM4E (0.60) MMP2MMP3
SCHEMBL9707353 0.81 LSS (0.62) MMP2MMP3
SCHEMBL12418966 0.79 PPARA (0.45) MMP2FDPSL3MBTL1MAOAMAOB
SCHEMBL10619007 0.79 KCNA3 (0.53) MMP2MMP3FDPSL3MBTL1
SCHEMBL12534316 0.76 KMT2A (0.56) CYP1A2CYP3A4CYP2C19BLMPMP22
SCHEMBL3444779 0.75 KDM4E (0.69) CYP1A2CYP3A4CYP2C19BLMPMP22
SCHEMBL9783690 0.75 NR4A2 (0.51) L3MBTL1
SCHEMBL10617883 0.75 MMP2 (0.61) MMP2MMP3L3MBTL1
SCHEMBL9707448 0.73 MMP2 (0.72) MMP2MMP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693217-B2 BACTERICIDES AGAINST PLASMODIUM OR MYCOBACTERIUM SPECIES JACOBUS PHARMACEUTICAL CO., INC. 2004-02-17 US disclosed
US-20030144361-A1 Antimalarial N,N'-subistituted biguanides derived from hydroxylamines JACOBUS PHARMACEUTICAL CO., INC. 2003-07-31 US disclosed
US-6551614-B2 Protecting from malaria without causing testicular atrophy by administering 1-(3-(3,4-dichlorophenoxy)propyloxy)-5-isopropylbiguanide(hemisuccinate) JACOBUS PHARMACEUTICAL CO., INC. 2003-04-22 US disclosed
US-20030040544-A1 Antimalarial N,N'-substituted biguanides derived from hydroxylamines JACOBUS PHARMACEUTICAL CO. INC. 2003-02-27 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 (2 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-20030040544-A1 Antimalarial N,N'-substituted biguanides derived from hydroxylamines G6PD, HBG1, FPGS MMP2 2305/4885MMP3 3602/4885CYP1A2 588/4885
US-20030144361-A1 Antimalarial N,N'-subistituted biguanides derived from hydroxylamines G6PD, HBG1, BHMT MMP2 2178/4885MMP3 3285/4885CYP1A2 511/4885

“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.