SCHEMBL6192203

SCHEMBL6192203

COC(=O)CCC#Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
FFAR1 O14842 1/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
HSP90AA1 P07900 2/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
S1PR2 O95136 1/20 0.49
OPRK1 P41145 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41

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
SCHEMBL6690776 0.84 FFAR1 (0.66) MEN1KMT2AFFAR1ALDH1A1MAPT
SCHEMBL1551008 0.81 FFAR1 (0.74) MEN1KMT2AFFAR1ALDH1A1MAPT
SCHEMBL6490829 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1MAPT
SCHEMBL6689389 0.81 ALDH1A1 (0.50) MEN1KMT2AFFAR1ALDH1A1MAPT
SCHEMBL8264984 0.80 FFAR1 (0.48) KMT2AFFAR1ALDH1A1MAPTHTT
SCHEMBL22301347 0.79 ALDH1A1 (0.50) MEN1KMT2AFFAR1ALDH1A1MAPT
SCHEMBL6697515 0.79 ALDH1A1 (0.54) MEN1KMT2AFFAR1ALDH1A1MAPT
SCHEMBL6702166 0.79 MAPT (0.45) MEN1KMT2AFFAR1ALDH1A1MAPT
SCHEMBL6696703 0.79 PTPN2 (0.49) MEN1KMT2AFFAR1ALDH1A1MAPT
SCHEMBL6209720 0.78 GABRP (0.42) MEN1KMT2AALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288273-A1 Antibacterial agents BOYER FREDERICK E JR 2005-12-29 US disclosed
EP-1594494-A1 OXAZOLIDINONE DERIVATIVES N-SUBSTITUTED BY A BICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
EP-1594865-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
US-20040224939-A1 Antibacterial agents CHUPAK LOUIS S (US) 2004-11-11 US disclosed
WO-2004069832-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 WO disclosed
WO-2004069244-A1 OXAZOLIDINONE DERIVATIVES N-SUBSTITUTED BY A BICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 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 (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-20040224939-A1 Antibacterial agents MRPL21, RPN2, FBL MEN1 2732/4885KMT2A 4819/4885FFAR1 3031/4885
US-20050288273-A1 Antibacterial agents MRPL21, RPN2, FBL MEN1 2732/4885KMT2A 4819/4885FFAR1 3031/4885

“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.