SCHEMBL401804

SCHEMBL401804

CC(C)n1nnc(-c2ccc(O)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
USP2 O75604 2/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47
AAK1 Q2M2I8 2/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
LTA4H P09960 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL18609182 0.84 NPSR1 (0.51) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL3232677 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL8267758 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2USP2KMT2A
SCHEMBL18609314 0.82 LMNA (0.54) NPC1RAB9ASMN1; SMN2MAPTUSP2
SCHEMBL4413921 0.81 RAB9A (0.55) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL18590275 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL23709510 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTUSP2
SCHEMBL7919192 0.79 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2MAPTUSP2
SCHEMBL13863837 0.78 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL21774267 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTUSP2

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 16 patents. 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
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
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
WO-2015165340-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE 南京明德新药研发股份有限公司 2015-11-05 WO disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
CN-101056628-B Ester derivatives and medicinal use thereof JAPAN TOBACCO INC 2011-05-25 CN disclosed
CN-101056628-A Ester derivatives and medicinal use thereof JAPAN TOBACCO INC (JP) 2007-10-17 CN disclosed
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP disclosed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 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 (2 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-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 NPC1 1136/4885RAB9A 566/4885SMN1; SMN2 696/4885
US-20060089392-A1 Ester derivatives and medicinal use thereof MTTP, CETP, LIPA NPC1 24/4885RAB9A 2562/4885SMN1; SMN2 3824/4885

“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.