SCHEMBL5089480

SCHEMBL5089480

O=[N+]([O-])c1c(F)cccc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.47
S1PR4 O95977 3/20 0.46
HSPB1 P04792 2/20 0.45
RHEB Q15382 1/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 3/20 0.44
MAPT P10636 2/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
TTR P02766 1/20 0.44
PGR P06401 1/20 0.44
HSP90AA1 P07900 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HSPA5 P11021 1/20 0.44
CBR1 P16152 1/20 0.44
TBXA2R P21731 1/20 0.44
AGTR1 P30556 1/20 0.44

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
SCHEMBL9378425 0.85 TDP1 (0.50) EPAS1HSPB1MEN1KMT2AMAPT
SCHEMBL16556058 0.83 EPAS1 (0.63) EPAS1HSPB1RHEBMEN1KMT2A
SCHEMBL30856930 0.83 EPAS1 (0.63) EPAS1HSPB1RHEBMEN1KMT2A
SCHEMBL10585649 0.82 ALDH1A1 (0.53) HPGDMEN1KMT2AMAPTTTR
SCHEMBL21684753 0.81 HSPB1 (0.64) EPAS1HSPB1MEN1KMT2AMAPT
Potassium Ion SCHEMBL10890394 0.80 HPD (0.47) EPAS1S1PR4RHEBHPGDMEN1
Monoethanolamine SCHEMBL10891249 0.79 ALDH1A1 (0.50) HPGDMEN1KMT2AMAPTTTR
SCHEMBL1340557 0.78 HSPB1 (0.56) EPAS1S1PR4HSPB1HPGDMEN1
SCHEMBL11094809 0.78 CHRM1 (0.69) S1PR4SLC6A2SLC6A3MAPTTTR
SCHEMBL640965 0.78 HPGD (0.73) S1PR4HSPB1HPGDMEN1KMT2A

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
US-7393873-B2 Arylsulfonamide derivatives MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-20060142612-A1 Arylsulfonamide derivatives MERCK SHARP & DOHME CORP. 2006-06-29 US disclosed
EP-1643960-A2 ARYLSULFONAMIDE DERIVATIVES Merck & Co., Inc. (US) 2006-04-12 EP disclosed
WO-2005004810-A2 ARYLSULFONAMIDE DERIVATIVES MERCK & CO., INC. (US) 2005-01-20 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-20060142612-A1 Arylsulfonamide derivatives BDKRB1, BDKRB2, LTB4R2 EPAS1 137/4885S1PR4 696/4885HSPB1 338/4885

“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.