SCHEMBL9430237

SCHEMBL9430237

CC(=O)NCc1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.50
KMT2A Q03164 1/20 0.50
HDAC6 Q9UBN7 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC1 Q13547 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
NAMPT P43490 1/20 0.42
VHL P40337 1/20 0.42

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
SCHEMBL18415486 0.84 GRM5 (0.53) GRM5KMT2AHDAC6HDAC8HDAC1
SCHEMBL12990668 0.82 GRM5 (0.46) GRM5KMT2AHDAC6HDAC8HDAC1
SCHEMBL7516052 0.81 KDM4E (0.56) HDAC6HDAC1RAB9ATDP1NPC1
SCHEMBL934546 0.81 TDP1 (0.49) GRM5HDAC6HDAC8RAB9ATDP1
SCHEMBL13870633 0.81 GRM5 (0.48) GRM5HDAC6HDAC8RAB9ATDP1
SCHEMBL9137023 0.81 TDP1 (0.46) GRM5KMT2ARAB9ATDP1NPC1
SCHEMBL12265800 0.80 HDAC6 (0.51) GRM5HDAC6HDAC8RAB9ATDP1
SCHEMBL8295315 0.80 ERCC1 (0.53) GRM5KMT2AHDAC6HDAC8TDP1
SCHEMBL9480522 0.79 THRB (0.49) GRM5HDAC6HDAC8HDAC1RAB9A
SCHEMBL6720904 0.79 GRM5 (0.52) GRM5KMT2AHDAC6HDAC8HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN claimed
EP-0253594-A2 Polymerisable thiophene monomers, their production and polymers prepared therefrom COOKSON GROUP plc (GB) 1988-01-20 EP claimed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
CN-109206417-B Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2023-01-03 CN disclosed
WO-2022226203-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION (US) 2022-10-27 WO disclosed
CN-115124520-A Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2022-09-30 CN disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
EP-3288590-B1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2021-03-03 EP disclosed
CN-109206417-A Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2019-01-15 CN disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN disclosed
WO-1994029304-A1 THIENYLTHIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-22 WO disclosed
US-4992559-A Electrochromic displays, antistatic agents, pH detectors, electrodes COOKSON GROUP PLC (GB) 1991-02-12 US disclosed
EP-0253594-A2 Polymerisable thiophene monomers, their production and polymers prepared therefrom COOKSON GROUP plc (GB) 1988-01-20 EP 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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 GRM5 2915/4885KMT2A 3209/4885HDAC6 597/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 GRM5 2915/4885KMT2A 3209/4885HDAC6 597/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 GRM5 142/4885KMT2A 922/4885HDAC6 288/4885

“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.