SCHEMBL2996519

SCHEMBL2996519

COc1ccccc1OCCSc1nc2ccccc2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.77
SMN1; SMN2 Q16637 6/20 0.70
NPC1 O15118 4/20 0.67
LMNA P02545 3/20 0.67
MAPT P10636 2/20 0.67
HTT P42858 2/20 0.67
KMT2A Q03164 2/20 0.67
TP53 P04637 1/20 0.67
MEN1 O00255 1/20 0.65
HPGD P15428 1/20 0.65
BCHE P06276 1/20 0.61
RAB9A P51151 3/20 0.58
EPHX2 P34913 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL14597962 0.86 SMN1; SMN2 (0.67) ARSMN1; SMN2NPC1LMNAMAPT
SCHEMBL12195177 0.84 AR (0.73) ARSMN1; SMN2NPC1LMNAMAPT
SCHEMBL18155143 0.81 AR (1.00) ARSMN1; SMN2NPC1LMNAMAPT
SCHEMBL14304933 0.80 BCHE (0.77) ARSMN1; SMN2NPC1LMNAMAPT
SCHEMBL5503497 0.79 LMNA (0.85) ARSMN1; SMN2NPC1LMNAMAPT
SCHEMBL9439554 0.78 SMN1; SMN2 (0.71) ARSMN1; SMN2NPC1LMNAMAPT
SCHEMBL11475158 0.78 BCHE (1.00) ARSMN1; SMN2NPC1LMNAKMT2A
SCHEMBL8501307 0.77 CYP2C9 (0.74) ARSMN1; SMN2NPC1LMNAMAPT
SCHEMBL5114943 0.76 AR (1.00) ARSMN1; SMN2NPC1LMNAMAPT
SCHEMBL29001688 0.76 NPC1 (0.68) ARSMN1; SMN2NPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers REDPOINT BIO CORPORATION (US) 2010-08-05 US claimed
US-7674831-B2 Heterocyclic compounds as sweetener enhancers REDPOINT BIO CORPORATION (US) 2010-03-09 US claimed
US-20080249189-A1 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION 2008-10-09 US claimed
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP claimed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO claimed
US-20110245231-A1 ACTIVE SUBSTANCE AND PHARMACEUTICAL COMPOSITION FOR TREATING ALCOHOL DEPENDENCE, AND A METHOD FOR OBTAINING AND THE USE OF SAID ACTIVE SUBSTANCE ALLA CHEM, LLC (US) 2011-10-06 US disclosed
US-20110245231-A1 ACTIVE SUBSTANCE AND PHARMACEUTICAL COMPOSITION FOR TREATING ALCOHOL DEPENDENCE, AND A METHOD FOR OBTAINING AND THE USE OF SAID ACTIVE SUBSTANCE ALLA CHEM, LLC (US) 2011-10-06 US disclosed
US-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers REDPOINT BIO CORPORATION (US) 2010-08-05 US disclosed
US-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers REDPOINT BIO CORPORATION (US) 2010-08-05 US disclosed
US-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers REDPOINT BIO CORPORATION (US) 2010-08-05 US disclosed
WO-2010074607-A2 ACTIVE SUBSTANCE AND PHARMACEUTICAL COMPOSITION FOR TREATING ALCOHOL DEPENDENCE, AND A METHOD FOR OBTAINING AND THE USE OF SAID ACTIVE SUBSTANCE АЛЛА XEM, ЛЛС (US) 2010-07-01 WO disclosed
US-7674831-B2 Heterocyclic compounds as sweetener enhancers REDPOINT BIO CORPORATION (US) 2010-03-09 US disclosed
US-7674831-B2 Heterocyclic compounds as sweetener enhancers REDPOINT BIO CORPORATION (US) 2010-03-09 US disclosed
US-7674831-B2 Heterocyclic compounds as sweetener enhancers REDPOINT BIO CORPORATION (US) 2010-03-09 US disclosed
EP-2061321-A2 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS Redpoint Bio Corporation (US) 2009-05-27 EP disclosed
US-20080249189-A1 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION 2008-10-09 US disclosed
US-20080249189-A1 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION 2008-10-09 US disclosed
US-20080249189-A1 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION 2008-10-09 US disclosed
WO-2008024364-A2 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION (US) 2008-02-28 WO disclosed
WO-2008024364-A2 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION (US) 2008-02-28 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 (3 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-20080249189-A1 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS TAS2R1, TAS1R1, TAS2R40 AR 3514/4885SMN1; SMN2 1710/4885NPC1 3113/4885
US-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers TAS2R1, TAS1R1, TAS2R40 AR 3514/4885SMN1; SMN2 1710/4885NPC1 3113/4885
US-20110245231-A1 ACTIVE SUBSTANCE AND PHARMACEUTICAL COMPOSITION FOR TREATING ALCOHOL DEPENDENCE, AND A METHOD FOR OBTAINING AND THE USE OF SAID ACTIVE SUBSTANCE ADH1C, ADH1A, ADH5 AR 1279/4885SMN1; SMN2 3094/4885NPC1 1472/4885

“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.