SCHEMBL5022626

SCHEMBL5022626

CCOc1ccc2ccc(NC(=O)O)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
MITF O75030 1/20 0.49
PAX8 Q06710 1/20 0.49
MAPT P10636 6/20 0.48
MAPK1 P28482 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
SCHEMBL4064359 0.83 NPC1 (0.57) POLBNPC1RAB9ACASP3SENP8
SCHEMBL4189931 0.82 KMT2A (0.73) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL14037478 0.82 POLB (0.52) POLBNPC1RAB9ACASP3SENP8
Fluoride SCHEMBL11793913 0.80 KMT2A (0.71) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL28208041 0.80 HTT (0.65) POLBNPC1RAB9ACASP3SENP8
SCHEMBL4058023 0.79 NPC1 (0.56) POLBNPC1RAB9ACASP3SENP8
SCHEMBL3821099 0.78 NQO1 (0.62) NPC1MEN1KMT2ACYP1A2TDP1
SCHEMBL29779700 0.78 NQO1 (0.62) NPC1MEN1KMT2ACYP1A2TDP1
SCHEMBL14470413 0.78 POLB (0.74) POLBNPC1RAB9ACASP3SENP8
SCHEMBL3462939 0.77 EGFR (0.66) POLBNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687262-B1 BICYCLIC AMIDE, CARBAMATE OR UREA DERIVATIVES AS VANILLOID RECEPTOR MODULATORS BAYER HEALTHCARE AG (DE) 2008-11-19 EP disclosed
US-20080058377-A1 Bicyclic Amide, Carbamate or Urea Derivatives as Vanilloid Receptor Modulators BAYER HEALTHCARE AG (DE) 2008-03-06 US disclosed
EP-1687262-A1 BICYCLIC AMIDE, CARBAMATE OR UREA DERIVATIVES AS VANILLOID RECEPTOR MODULATORS Bayer HealthCare AG (DE) 2006-08-09 EP disclosed
WO-2005044786-A1 BICYCLIC AMIDE, CARBAMATE OR UREA DERIVATIVES AS VANILLOID RECEPTOR MODULATORS BAYER HEALTHCARE AG (DE) 2005-05-19 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-20080058377-A1 Bicyclic Amide, Carbamate or Urea Derivatives as Vanilloid Receptor Modulators NMUR1, CNR1, AVPR1A POLB 3209/4885NPC1 1091/4885RAB9A 1723/4885

“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.