SCHEMBL6352334

SCHEMBL6352334

[NH]C(=O)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
HTT P42858 3/20 0.53
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
GLA P06280 1/20 0.51
KMT2A Q03164 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MITF O75030 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
ATM Q13315 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL11407927 0.83 LMNA (0.56) LMNAHTTALDH1A1L3MBTL1GAA
5-Nitro-2-Furoic Acid SCHEMBL1221377 0.82 LMNA (0.58) LMNAHTTALDH1A1L3MBTL1GAA
5-Nitro-2-Furoic Acid SCHEMBL2115021 0.80 LMNA (0.57) LMNAHTTALDH1A1L3MBTL1GAA
SCHEMBL6734715 0.80 MAPT (0.60) LMNAHTTALDH1A1L3MBTL1GAA
Metofurone SCHEMBL687311 0.80 RAB9A (0.54) LMNAHTTALDH1A1L3MBTL1GAA
SCHEMBL1199803 0.80 L3MBTL1 (0.55) LMNAHTTALDH1A1L3MBTL1GAA
SCHEMBL5925722 0.78 MAPT (0.59) LMNAHTTALDH1A1L3MBTL1GAA
SCHEMBL11689214 0.78 LMNA (0.55) LMNAHTTALDH1A1L3MBTL1GAA
Hydrochloric Acid SCHEMBL11716225 0.77 LMNA (0.46) LMNAHTTALDH1A1L3MBTL1GAA
SCHEMBL11455980 0.77 LMNA (0.56) LMNAHTTALDH1A1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 LMNA 4552/4885HTT 2677/4885ALDH1A1 462/4885
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 LMNA 4062/4885HTT 2287/4885ALDH1A1 123/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 LMNA 3376/4885HTT 1599/4885ALDH1A1 170/4885

“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.