SCHEMBL2189271

SCHEMBL2189271

CCOC(=O)Cc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.51
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 1/20 0.45
APP P05067 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
GPR35 Q9HC97 1/20 0.45
CTSB P07858 1/20 0.45

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
SCHEMBL9080129 0.88 MAPT (0.52) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL9445187 0.86 MAPT (0.54) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL4271172 0.84 POLB (0.51) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL17630097 0.84 MAPT (0.49) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL2191038 0.83 ALDH1A1 (0.56) MAPTLMNAKMT2AMEN1HTT
SCHEMBL15835742 0.83 SMN1; SMN2 (0.60) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL492505 0.83 CYP1A2 (0.64) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL12726296 0.82 MAPT (0.49) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL28676925 0.82 MAPT (0.49) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL23671524 0.81 ALDH1A1 (0.56) MAPTLMNAKMT2AMEN1HTT

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-1486491-B1 CARBOXYLIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-07-13 EP disclosed
US-7351705-B2 Carboxylic acid compounds and a pharmaceutical agent comprising the compound as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
EP-1486491-A1 CARBOXYOIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-15 EP 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-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient UACA, CPA3, HCAR1 EGFR 912/4885MAPT 1589/4885LMNA 4217/4885

“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.