SCHEMBL6209802

SCHEMBL6209802

O=[N+]([O-])c1cc(F)c(N2CC3OC3C2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
HIF1A Q16665 1/20 0.35
POLB P06746 3/20 0.35
CYP19A1 P11511 1/20 0.34
MAPT P10636 4/20 0.34
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL18396719 0.84 ALDH1A1 (0.38) ALDH1A1KMT2ANPC1RAB9ALMNA
SCHEMBL4705323 0.83 ALDH1A1 (0.41) ALDH1A1KMT2ANPC1RAB9ALMNA
SCHEMBL4703887 0.82 ALDH1A1 (0.40) ALDH1A1KMT2ANPC1RAB9ALMNA
SCHEMBL6211391 0.82 ALDH1A1 (0.40) ALDH1A1KMT2ANPC1RAB9ALMNA
SCHEMBL22689303 0.80 ALDH1A1 (0.35) ALDH1A1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL22698549 0.80 ALDH1A1 (0.35) ALDH1A1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL240096 0.79 MAPT (0.43) ALDH1A1KMT2ANPC1RAB9ALMNA
SCHEMBL6478813 0.79 ALDH1A1 (0.38) ALDH1A1KMT2ANPC1RAB9ALMNA
SCHEMBL22698610 0.79 ALDH1A1 (0.34) ALDH1A1KMT2ANPC1RAB9ALMNA
SCHEMBL31640059 0.78 HTT (0.53) ALDH1A1KMT2ANPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549641-A1 ANTIMICROBIAL 3.1.0 BICYCLIC OXAZOLIDINONE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-07-06 EP disclosed
US-6875784-B2 Antimibicrobial [3.1.0.] bicyclic oxazolidinone derivatives PHARMACIA & UPJOHN COMPANY (US) 2005-04-05 US disclosed
US-20040127530-A1 Antimibicrobial [3.1.0.] bicyclic oxazolidinone derivatives PHARMACIA & UPJOHN COMPANY 2004-07-01 US disclosed
WO-2004033451-A1 ANTIMICROBIAL [3.1.0] BICYCLIC OXAZOLIDINONE DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-22 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-20040127530-A1 Antimibicrobial [3.1.0.] bicyclic oxazolidinone derivatives OXA1L, CYP1B1, MT-CO1 ALDH1A1 345/4885KMT2A 3114/4885NPC1 2062/4885

“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.