SCHEMBL6790925

SCHEMBL6790925

COc1nc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
HSP90AA1 P07900 2/20 0.49
ESR2 Q92731 1/20 0.49
KDM4E B2RXH2 2/20 0.46
CHEK2 O96017 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
TPMT P51580 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 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
SCHEMBL15223797 0.88 GSK3B (0.40) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL16496057 0.86 CHEK2 (0.47) CHEK2CA1CA2
SCHEMBL29488678 0.86 KDM4E (0.50) KDM4ECA12CA1CA2CA7
SCHEMBL28544499 0.85 RAB9A (0.47) TDP1HSP90AA1ESR2KDM4ECHEK2
SCHEMBL12392417 0.84 LMNA (0.36) TDP1HSP90AA1ESR2KDM4ECHEK2
SCHEMBL1106071 0.79 TDP1 (0.76) TDP1HSP90AA1ESR2KDM4EHRH3
SCHEMBL828113 0.78 KDM4E (0.56) TDP1HSP90AA1ESR2KDM4ECHEK2
Hydrochloric Acid SCHEMBL7331906 0.78 TDP1 (0.73) TDP1HSP90AA1ESR2KDM4EHRH3
SCHEMBL1662758 0.77 CHEK2 (0.76) KDM4ECHEK2RAB9ANPC1SMN1; SMN2
SCHEMBL6320497 0.77 LMNA (0.62) KDM4ENPC1SMN1; SMN2ALDH1A1HPGD

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 TDP1 3709/4885HSP90AA1 1081/4885ESR2 2843/4885

“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.