SCHEMBL5657581

SCHEMBL5657581

COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
ALDH1A1 P00352 8/20 0.69
MAPT P10636 5/20 0.69
HTT P42858 1/20 0.69
MAPK1 P28482 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
LMNA P02545 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
RAB9A P51151 1/20 0.66
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
SGK1 O00141 1/20 0.62
POLB P06746 2/20 0.61
THRB P10828 1/20 0.61
GAA P10253 1/20 0.58
KLK7 P49862 1/20 0.58
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL30034264 0.87 SMN1; SMN2 (0.88) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL15306483 0.87 ALDH1A1 (0.73) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL4128446 0.83 MEN1 (0.77) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL18416955 0.82 MEN1 (0.71) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL4733997 0.82 KMT2A (1.00) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL25304122 0.82 ALDH1A1 (0.73) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL10570417 0.82 ALDH1A1 (0.78) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL3923158 0.81 SMN1; SMN2 (0.78) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL2453779 0.81 SMN1; SMN2 (0.78) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL13185621 0.81 SMN1; SMN2 (1.00) MEN1KMT2AALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 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 (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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR MEN1 3607/4885KMT2A 4094/4885ALDH1A1 2894/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR MEN1 3460/4885KMT2A 3904/4885ALDH1A1 2221/4885

“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.