SCHEMBL7919192

SCHEMBL7919192

COc1ccc(-c2nnn(C(C)C)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 2/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.60
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
LTA4H P09960 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
MGLL Q99685 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.44

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
SCHEMBL13863808 0.83 NPC1 (0.63) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL18609182 0.81 NPSR1 (0.51) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL8267758 0.79 NPC1 (0.56) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL401804 0.79 NPC1 (0.52) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL3232677 0.79 NPC1 (0.49) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL18609314 0.79 LMNA (0.54) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL4413921 0.79 RAB9A (0.55) SMN1; SMN2HPGDMAPK1NPC1RAB9A
SCHEMBL18590275 0.78 NPC1 (0.48) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL8391808 0.78 LTA4H (0.69) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL5192240 0.77 LTA4H (0.64) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138840-B1 THIADIAZOLIDINE DERIVATIVE AS ANTI-ENTEROVIRUS 71 JIANGSU KANION PHARMACEUTICAL CO LTD (CN) 2020-09-23 EP disclosed
CN-106661009-B Anti- enteric virus71 thiadiazolidine derivative 江苏康缘药业股份有限公司 2019-11-26 CN disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
CN-106661009-A Anti-enterovirus 71 thiadiazolidine derivative 江苏康缘药业股份有限公司 2017-05-10 CN disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
EP-3138840-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion Pharmaceutical Co., Ltd. (CN) 2017-03-08 EP disclosed
US-20090130059-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-05-21 US disclosed
US-20090098085-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-20090035268-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-12-25 US disclosed
US-20080279821-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-13 US disclosed
US-20080267917-A1 N-FUNCTIONALIZED AMIDES AS HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
US-20080269228-A1 HYDRAZIDE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
US-20080039470-A1 Acylaminoheteroaryl hepatitis C virus protease inhibitors ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20080039375-A1 Phosphorus-containing hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2008-02-14 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 (11 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-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 SMN1; SMN2 3683/4885HSD17B10 756/4885ALDH1A1 1035/4885
US-20080279821-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 SMN1; SMN2 3280/4885HSD17B10 778/4885ALDH1A1 691/4885
US-20080267917-A1 N-FUNCTIONALIZED AMIDES AS HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 SMN1; SMN2 2794/4885HSD17B10 758/4885ALDH1A1 628/4885
US-20080039470-A1 Acylaminoheteroaryl hepatitis C virus protease inhibitors ATG4A, CYP4A22, AADAC SMN1; SMN2 4121/4885HSD17B10 211/4885ALDH1A1 486/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 SMN1; SMN2 696/4885HSD17B10 2874/4885ALDH1A1 1424/4885
US-20080269228-A1 HYDRAZIDE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS HPN, SPINT2, PRSS1 SMN1; SMN2 4212/4885HSD17B10 241/4885ALDH1A1 265/4885
US-20080039375-A1 Phosphorus-containing hepatitis C serine protease inhibitors PRSS1, PPP4C, G6PC1 SMN1; SMN2 3475/4885HSD17B10 1474/4885ALDH1A1 2409/4885
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS PREP, DNPEP, CTSC SMN1; SMN2 3462/4885HSD17B10 1026/4885ALDH1A1 890/4885
US-20090098085-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 SMN1; SMN2 3971/4885HSD17B10 605/4885ALDH1A1 725/4885
US-20090035268-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 SMN1; SMN2 3971/4885HSD17B10 605/4885ALDH1A1 725/4885
US-20090130059-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 SMN1; SMN2 3683/4885HSD17B10 756/4885ALDH1A1 1035/4885

“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.