SCHEMBL5517865

SCHEMBL5517865

CC(=Cc1ccc([N+](=O)[O-])cc1O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
GPR35 Q9HC97 2/20 0.47
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
GLO1 Q04760 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 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
SCHEMBL9358684 0.88 ERN1 (0.59) ERN1GPR35ALDH1A1SMN1; SMN2MAPK1
SCHEMBL9358680 0.88 ERN1 (0.59) ERN1GPR35ALDH1A1SMN1; SMN2MAPK1
SCHEMBL4019892 0.85 ALDH1A1 (0.51) GPR35ALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL4019895 0.85 ALDH1A1 (0.51) GPR35ALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL3019575 0.84 ALDH1A1 (0.42) ERN1ALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL3019577 0.84 ALDH1A1 (0.42) ERN1ALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL3019574 0.84 ALDH1A1 (0.42) ERN1ALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL9551016 0.82 MAPT (0.56) ERN1ALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL9384129 0.82 MAPT (0.56) ERN1ALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL16971054 0.82 ALDH1A1 (0.50) ERN1ALDH1A1SMN1; SMN2MAPK1TP53

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-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
EP-1771442-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-11 EP disclosed
US-20060052418-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-09 US disclosed
WO-2006007693-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 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-20070249629-A1 Viral Polymerase Inhibitors RPP30, POLR2A, POLR1E ERN1 44/4885GPR35 3378/4885ALDH1A1 2153/4885
US-20060052418-A1 Viral polymerase inhibitors RPP30, POLR2A, POLR1E ERN1 44/4885GPR35 3378/4885ALDH1A1 2153/4885

“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.