SCHEMBL2217019

SCHEMBL2217019

CCCCOc1ccc(NC2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
CCNK O75909 4/20 0.43
CDK12 Q9NYV4 4/20 0.43
CCNA2 P20248 3/20 0.43
CDK2 P24941 3/20 0.43
CDK7 P50613 3/20 0.43
CCNH P51946 3/20 0.43
MNAT1 P51948 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL2217013 1.00 HPGD (0.48) HPGDMAPTGFERL3MBTL1ALDH1A1
SCHEMBL2216185 0.87 GFER (0.57) MAPTGFERL3MBTL1ALDH1A1KMT2A
SCHEMBL2216188 0.87 GFER (0.57) MAPTGFERL3MBTL1ALDH1A1KMT2A
SCHEMBL2217845 0.83 LTA4H (0.47) HPGDMAPTGFERL3MBTL1ALDH1A1
SCHEMBL2217847 0.83 LTA4H (0.47) HPGDMAPTGFERL3MBTL1ALDH1A1
SCHEMBL2222423 0.83 L3MBTL1 (0.50) MAPTGFERL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2222426 0.83 L3MBTL1 (0.50) MAPTGFERL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2219952 0.82 SPR (0.53) MAPTGFERL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2219945 0.82 SPR (0.53) MAPTGFERL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2218650 0.75 KDM5A (0.57) MAPTL3MBTL1ALDH1A1MEN1KMT2A

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
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 HPGD 1413/4885MAPT 2660/4885GFER 3519/4885

“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.