SCHEMBL6840091

SCHEMBL6840091

CCCc1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.54
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KEAP1 Q14145 1/20 0.50
HTR6 P50406 4/20 0.49
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
PTGS1 P23219 1/20 0.47
OPRM1 P35372 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46

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
SCHEMBL7902370 0.86 PTGS1 (0.59) NR3C1ALDH1A1SMN1; SMN2KEAP1MAPT
SCHEMBL246185 0.85 ALDH1A1 (0.53) NR3C1ALDH1A1SMN1; SMN2KEAP1HTR6
SCHEMBL4370201 0.85 HTR6 (0.66) NR3C1ALDH1A1SMN1; SMN2KEAP1HTR6
SCHEMBL30873064 0.83 P2RY4 (0.48) HTR6MAPTATMGRIN2DGRIN3B
SCHEMBL8867295 0.83 NR3C1 (0.51) NR3C1ALDH1A1SMN1; SMN2KEAP1HTR6
SCHEMBL27183255 0.83 P2RY4 (0.48) HTR6MAPTATMGRIN2DGRIN3B
SCHEMBL5262193 0.82 NR3C1 (0.56) NR3C1ALDH1A1SMN1; SMN2KEAP1HTR6
SCHEMBL14131241 0.82 NR3C1 (0.50) NR3C1ALDH1A1SMN1; SMN2KEAP1HTR6
SCHEMBL2877808 0.82 NR3C1 (0.50) NR3C1ALDH1A1SMN1; SMN2KEAP1HTR6
SCHEMBL8867307 0.82 NR3C1 (0.50) NR3C1ALDH1A1SMN1; SMN2KEAP1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-7270703-B2 Metallized dyes having colorfastness, heat and ozone resistance, used for thermal printing, color filters, toners, liquid crystal displays and coloring fibers FUJIFILM CORPORATION (JP) 2007-09-18 US disclosed
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 US disclosed
US-6323223-B1 CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. SYNTEX (U.S.A.) LLC 2001-11-27 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK NR3C1 893/4885ALDH1A1 148/4885SMN1; SMN2 1371/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B NR3C1 1493/4885ALDH1A1 1136/4885SMN1; SMN2 3561/4885

“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.