SCHEMBL3103783

SCHEMBL3103783

ClCc1csc(Nc2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.57
KMT2A Q03164 4/20 0.57
RAB9A P51151 4/20 0.57
CSNK2A1 P68400 1/20 0.57
PLK3 Q9H4B4 1/20 0.57
MAPT P10636 9/20 0.56
MEN1 O00255 2/20 0.56
CCR4 P51679 1/20 0.53
ALOX5 P09917 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MMP2 P08253 1/20 0.52
MMP10 P09238 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
MMP14 P50281 1/20 0.52
NFKB1 P19838 2/20 0.50

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
SCHEMBL1932381 0.83 MAPT (0.54) GAAKMT2ARAB9AMAPTMEN1
SCHEMBL13503715 0.83 RAB9A (0.62) GAAKMT2ARAB9ACSNK2A1PLK3
SCHEMBL10464778 0.83 GAA (0.57) GAAKMT2ARAB9ACSNK2A1PLK3
Hydrochloric Acid SCHEMBL3217563 0.82 MAPT (0.52) GAAKMT2ARAB9AMAPTMEN1
SCHEMBL13181102 0.80 ADRB2 (0.59) GAAKMT2ARAB9ACSNK2A1PLK3
SCHEMBL9385942 0.80 CSNK2A1 (0.58) GAAKMT2ARAB9ACSNK2A1PLK3
SCHEMBL10098814 0.79 RAB9A (0.57) GAAKMT2ARAB9ACSNK2A1PLK3
SCHEMBL5488921 0.79 RAB9A (0.57) GAAKMT2ARAB9ACSNK2A1PLK3
SCHEMBL13153208 0.79 CCR4 (0.64) GAAKMT2ARAB9ACSNK2A1PLK3
SCHEMBL18835237 0.79 ALOX5 (0.59) GAAKMT2ARAB9ACSNK2A1PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN disclosed
US-8691850-B2 Substituted phenylaminothiazoles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-08 US disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-8106209-B2 Substituted aminothiazole prodrugs of compounds with anti-HCV activity ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed
US-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases BAYER HEALTHCARE AG LAW AND PATENTS,PATENTS AND LICENSING (DE) 2010-02-25 US disclosed
US-20090304605-A1 Substituted Aminothiazole Prodrugs of Compounds with Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 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 (5 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-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases ADORA1, ADORA2B, ADORA2A GAA 901/4885KMT2A 2140/4885RAB9A 2327/4885
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof PAH, TNNT2, VHL GAA 1185/4885KMT2A 1756/4885RAB9A 4441/4885
US-20090304605-A1 Substituted Aminothiazole Prodrugs of Compounds with Anti-HCV Activity BCAT1, CCNT1, EIF2AK2 GAA 1018/4885KMT2A 2806/4885RAB9A 948/4885
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity EIF2AK2, BCAT1, IL4I1 GAA 1919/4885KMT2A 2793/4885RAB9A 1099/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 GAA 272/4885KMT2A 1948/4885RAB9A 826/4885

“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.