SCHEMBL3582033

SCHEMBL3582033

O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(C(C(=O)O)C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.55
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
VCAM1 P19320 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CES1 P23141 2/20 0.45
PDK1 Q15118 1/20 0.45
CES2 O00748 1/20 0.44
CASP6 P55212 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL3582037 1.00 SRD5A2 (0.55) SRD5A2TDP1ALDH1A1MAPTMAPK1
SCHEMBL7681987 0.90 MAPK1 (0.62) TDP1ALDH1A1MAPTMAPK1POLB
SCHEMBL7681995 0.90 MAPK1 (0.62) TDP1ALDH1A1MAPTMAPK1POLB
SCHEMBL7043142 0.83 CASP6 (0.64) LMNAPDK1CASP6
SCHEMBL7043138 0.83 CASP6 (0.64) LMNAPDK1CASP6
SCHEMBL3582311 0.83 ALDH1A1 (0.43) SRD5A2TDP1ALDH1A1MAPTMAPK1
SCHEMBL3582306 0.82 MAPT (0.52) SRD5A2TDP1ALDH1A1MAPTMAPK1
SCHEMBL5174175 0.81 MAPT (0.52) ALDH1A1MAPTMAPK1POLBLMNA
SCHEMBL5174181 0.81 MAPT (0.52) ALDH1A1MAPTMAPK1POLBLMNA
SCHEMBL3573148 0.80 TDP2 (0.43) SRD5A2TDP1ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US 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-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 SRD5A2 3759/4885TDP1 1059/4885ALDH1A1 2379/4885

“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.