SCHEMBL6784034

SCHEMBL6784034

Cc1nc2ccc(C(=O)NCc3cccc(C(=O)O)c3)cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.64
ESR2 Q92731 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
POLB P06746 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
RAB9A P51151 2/20 0.56
NR1H4 Q96RI1 1/20 0.56
EGLN1 Q9GZT9 1/20 0.56
ROCK2 O75116 2/20 0.54
ROCK1 Q13464 2/20 0.54
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
MMP13 P45452 1/20 0.49
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
CYP4Z1 Q86W10 1/20 0.48

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
SCHEMBL29924530 0.80 TDP1 (1.00) HSP90AA1ESR2TDP1POLBSMN1; SMN2
SCHEMBL1758956 0.80 TDP1 (1.00) HSP90AA1ESR2TDP1POLBSMN1; SMN2
SCHEMBL12109586 0.80 PLAU (0.57) POLBALDH1A1HPGDEGLN1MEN1
SCHEMBL4875930 0.79 POLB (0.64) HSP90AA1ESR2TDP1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL7331913 0.79 TDP1 (0.97) HSP90AA1ESR2TDP1POLBSMN1; SMN2
SCHEMBL6779931 0.78 NR1H4 (0.53) NR1H4EGLN1ROCK2ROCK1MMP13
SCHEMBL6170531 0.76 RAB9A (0.64) HSP90AA1ESR2TDP1POLBSMN1; SMN2
SCHEMBL6784014 0.75 NR1H4 (0.55) POLBNR1H4ROCK2ROCK1MMP13
SCHEMBL13501302 0.75 NR1H4 (0.76) ALDH1A1HPGDRAB9ANR1H4NPC1
SCHEMBL17468533 0.74 TDP1 (0.58) HSP90AA1ESR2TDP1POLBSMN1; SMN2

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-20040006104-A1 Neutrophil inhibitors to reduce inflammatory response THE PROCTER & GAMBLE COMPANY 2004-01-08 US disclosed
WO-2002016327-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS NEUTROPHIL INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-02-28 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-20040006104-A1 Neutrophil inhibitors to reduce inflammatory response MPO, SERPINB1, NCF1 HSP90AA1 1081/4885ESR2 2843/4885TDP1 3709/4885

“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.