SCHEMBL2685997

SCHEMBL2685997

O=C(O)COc1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
AURKA O14965 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.37
FBP1 P09467 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
GBA1 P04062 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
ERN1 O75460 1/20 0.35
GPR35 Q9HC97 1/20 0.35
PKM P14618 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL2686001 1.00 MEN1 (0.43) MEN1KMT2AAURKAGSK3AGSK3B
SCHEMBL31339552 0.85 PTGS2 (0.40) SMN1; SMN2NPC1GBA1MAPK1RAB9A
SCHEMBL1191026 0.85 PTGS2 (0.40) SMN1; SMN2NPC1GBA1MAPK1RAB9A
SCHEMBL30046816 0.82 LMNA (0.41) MEN1KMT2ASMN1; SMN2NPC1MAPK1
SCHEMBL751950 0.82 LMNA (0.41) MEN1KMT2ASMN1; SMN2NPC1MAPK1
SCHEMBL2872683 0.82 SMN1; SMN2 (0.36) MEN1KMT2AAURKAGSK3AGSK3B
SCHEMBL2685199 0.81 AAK1 (0.41) SMN1; SMN2NPC1GBA1MAPK1RAB9A
SCHEMBL858319 0.80 MAPT (0.42) MEN1KMT2AFBP1SMN1; SMN2NPC1
SCHEMBL28526026 0.80 AKR1B1 (0.35) MEN1KMT2AGSK3BSMN1; SMN2NPC1
SCHEMBL21494408 0.79 ERN1 (0.35) SMN1; SMN2NPC1MAPK1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 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 (4 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A MEN1 3254/4885KMT2A 2444/4885AURKA 4636/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MEN1 2771/4885KMT2A 3561/4885AURKA 3384/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R MEN1 400/4885KMT2A 2408/4885AURKA 4028/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MEN1 2771/4885KMT2A 3561/4885AURKA 3384/4885

“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.