SCHEMBL2176543

SCHEMBL2176543

CCCCCOc1ccn(Cc2cc([N+](=O)[O-])ccc2OC)c(=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.45
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
RAB9A P51151 1/20 0.40
TACR1 P25103 1/20 0.40
APOBEC3A P31941 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL2176810 0.87 CYP19A1 (0.43) CYP19A1MAPTHPGDALDH1A1LMNA
SCHEMBL2178275 0.83 TLR7 (0.50) ALDH1A1
SCHEMBL2176608 0.82 MAPK14 (0.45) MAPTALDH1A1LMNA
SCHEMBL2176889 0.81 LMNA (0.39) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2178553 0.80 MEN1 (0.40) ALDH1A1KMT2ACNR2
SCHEMBL2177557 0.79 ALDH1A1 (0.44) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2175566 0.77 CNR2 (0.39) ALDH1A1LMNAKMT2ACNR2
SCHEMBL2177989 0.77 MEN1 (0.41) MAPTALDH1A1LMNAKMT2A
SCHEMBL2176896 0.76 CMA1 (0.42) MAPTHPGDLMNASMN1; SMN2CYP2C9
SCHEMBL2174968 0.76 CNR2 (0.39) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO claimed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO 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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT CYP19A1 3456/4885MAPT 3226/4885HPGD 2921/4885

“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.