SCHEMBL14101817

SCHEMBL14101817

OCCNc1ccnc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
SMARCA2 P51531 9/20 0.47
SMARCA4 P51532 8/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
CHRM1 P11229 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
CHEK1 O14757 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LOX P28300 1/20 0.40
LOXL3 P58215 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL17233219 0.83 SMARCA2 (0.45) RECQLSMARCA2SMARCA4LOXLOXL3
SCHEMBL19062199 0.81 SMARCA2 (0.45) RECQLSMARCA2SMARCA4LOXLOXL3
SCHEMBL19030966 0.81 LOX (0.48) RECQLSMARCA2SMARCA4CYP2D6LOX
SCHEMBL29140596 0.79 GRIN2D (0.46) RECQLGRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL21608361 0.79 SMARCA2 (0.47) RECQLSMARCA2SMARCA4LOXLOXL3
SCHEMBL24615889 0.77 ALDH1A1 (0.48) SMARCA2SMARCA4CYP2C19
SCHEMBL11454686 0.77 HRH3 (0.46) SMARCA2SMARCA4CYP2C19IDH2
SCHEMBL4635970 0.77 SMARCA2 (0.47) RECQLSMARCA2SMARCA4LOXLOXL3
SCHEMBL12764425 0.73 ESR1 (0.44) RECQLSMARCA2SMARCA4LOXLOXL3
SCHEMBL7973139 0.73 SMARCA2 (0.37) RECQLSMARCA2SMARCA4LOXLOXL3

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
WO-2021060281-A1 PROSTAGLANDIN E2 RECEPTOR EP2/EP4 DUAL ANTAGONIST AGC株式会社 2021-04-01 WO disclosed
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
CN-102861610-B Hyperbranched amido pyridine contained catalyst, preparation methods of catalyst and application of catalyst NINGBO CHANGYANG TECHNOLOGY CO 2014-05-07 CN disclosed
CN-102861610-A Hyperbranched amido pyridine contained catalyst, preparation methods of catalyst and application of catalyst NINGBO CHANGYANG TECHNOLOGY CO 2013-01-09 CN disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 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 (1 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 RECQL 4387/4885SMARCA2 4293/4885SMARCA4 4085/4885

“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.