SCHEMBL3985339

SCHEMBL3985339

O=c1[nH]c(CCl)nc2ccsc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 4/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.51
PSD A5PKW4 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
NPC1 O15118 1/20 0.49

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
SCHEMBL13461924 0.83 ALDH1A1 (0.54) RXFP1HTTKDM4EALDH1A1TDP1
SCHEMBL13947840 0.83 HTT (0.59) RXFP1HTTKDM4EALDH1A1TDP1
SCHEMBL4213024 0.80 HTT (0.68) RXFP1HTTKDM4EALDH1A1TDP1
SCHEMBL16619153 0.80 ALDH1A1 (0.57) RXFP1HTTKDM4EALDH1A1TDP1
SCHEMBL9380174 0.78 PARP1 (0.57) RXFP1HTTKDM4EALDH1A1TDP1
SCHEMBL17893461 0.77 SMN1; SMN2 (0.54) RXFP1HTTKDM4EALDH1A1TDP1
SCHEMBL20339573 0.77 PARP1 (0.59) RXFP1HTTKDM4EALDH1A1TDP1
SCHEMBL12089060 0.75 ALDH1A1 (0.62) RXFP1HTTKDM4EALDH1A1TDP1
SCHEMBL18017410 0.74 RXFP1 (0.61) RXFP1HTTKDM4EALDH1A1TDP1
SCHEMBL5068159 0.74 SMN1; SMN2 (0.54) RXFP1HTTKDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126176-A Thienopyrimidine compound and dopamine D thereof 2 Use of receptor allosteric antagonists 常州大学 2023-11-28 CN disclosed
US-RE46942-E1 4-piperidinyl compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2018-07-10 US disclosed
US-9163003-B2 4-piperidinyl compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2015-10-20 US disclosed
EP-2731940-B1 4 - PIPERIDINYL COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-08-19 EP disclosed
US-20150126513-A1 4-PIPERIDINYL COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 US disclosed
EP-2731940-A1 4 - PIPERIDINYL COMPOUNDS FOR USE AS TANKYRASE INHIBITORS Novartis AG (CH) 2014-05-21 EP disclosed
WO-2013008217-A1 4 - PIPERIDINYL COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2013-01-17 WO disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2009-01-29 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 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 (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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 RXFP1 854/4885HTT 3308/4885KDM4E 2978/4885
US-20150126513-A1 4-PIPERIDINYL COMPOUNDS FOR USE AS TANKYRASE INHIBITORS TNKS1BP1, WNT1, TNKS RXFP1 950/4885HTT 3818/4885KDM4E 181/4885
US-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS PIM1, PIM3, PIM2 RXFP1 4795/4885HTT 4623/4885KDM4E 1232/4885
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 RXFP1 1492/4885HTT 4504/4885KDM4E 1534/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 RXFP1 1492/4885HTT 4504/4885KDM4E 1534/4885

“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.