SCHEMBL1769332

SCHEMBL1769332

N#CC1(c2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HIF1A Q16665 1/20 0.45
KMT2A Q03164 3/20 0.41
VCAM1 P19320 2/20 0.41
LMNA P02545 4/20 0.39
EGFR P00533 1/20 0.39
TDP2 O95551 1/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
BACE1 P56817 1/20 0.37
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
TLR9 Q9NR96 1/20 0.36
ADRA2A P08913 1/20 0.36
PNMT P11086 1/20 0.36
HSPB1 P04792 2/20 0.35

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
SCHEMBL31571876 1.00 ALDH1A1 (0.45) ALDH1A1HIF1AKMT2AVCAM1LMNA
SCHEMBL30468432 0.83 VCAM1 (0.40) ALDH1A1KMT2AVCAM1LMNAEGFR
SCHEMBL6607725 0.83 VCAM1 (0.40) ALDH1A1KMT2AVCAM1LMNAEGFR
SCHEMBL6612111 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AVCAM1LMNAEGFR
SCHEMBL19461720 0.82 PDE7A (0.41) ALDH1A1VCAM1LMNAEGFRMAPT
SCHEMBL30279948 0.80 VCAM1 (0.37) ALDH1A1KMT2AVCAM1LMNAEGFR
SCHEMBL19742444 0.80 VCAM1 (0.37) ALDH1A1KMT2AVCAM1LMNAEGFR
SCHEMBL9818651 0.77 PDE7A (0.40) ALDH1A1VCAM1LMNAMAPTADRA2A
SCHEMBL30279902 0.76 ALDH1A1 (0.35) ALDH1A1KMT2AVCAM1LMNAEGFR
SCHEMBL19742431 0.76 ALDH1A1 (0.35) ALDH1A1KMT2AVCAM1LMNAEGFR

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
WO-2011061760-A1 NOVEL ANTITHROMBOTIC AGENTS CADILA HEALTHCARE LIMITED (IN) 2011-05-26 WO disclosed
EP-1448536-A1 CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-08-25 EP disclosed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US disclosed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 US disclosed
WO-2003048136-A1 CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-06-12 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-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF ALAD, OXA1L, ECI1 ALDH1A1 824/4885HIF1A 1447/4885KMT2A 4551/4885

“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.