SCHEMBL8404349

SCHEMBL8404349

O=C1CCc2cccnc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ABCC4 O15439 1/20 0.37
PTGS1 P23219 1/20 0.37
MIF P14174 2/20 0.34
CES1 P23141 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
P2RX7 Q99572 1/20 0.33
KMT2A Q03164 2/20 0.33
CYP19A1 P11511 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL30685812 1.00 TSHR (0.37) TSHRABCC4PTGS1MIFCES1
SCHEMBL18013302 0.82 ABCC4 (0.43) ABCC4PTGS1CES1CA12CA1
SCHEMBL18020469 0.74 ABCC4 (0.33) ABCC4PTGS1
SCHEMBL9755439 0.73 OTUD7B (0.34) CA12CA1CA2CA9KMT2A
SCHEMBL31510121 0.72 TSHR (0.58) TSHRCES1TDP1CYP2A6MAOB
SCHEMBL29190731 0.72 TSHR (0.58) TSHRCES1TDP1CYP2A6MAOB
SCHEMBL18796247 0.72 CA12 (0.37) ABCC4PTGS1CES1CA12CA1
SCHEMBL19820987 0.71 TRPV1 (0.36) ABCC4PTGS1CA12CA9KMT2A
SCHEMBL18013215 0.71 TSHR (0.39) TSHR
SCHEMBL618831 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312474-A1 PHENOL DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-10-05 US disclosed
US-10815197-B2 N-sulfonyl benzamides as voltage-gated sodium channel inhibitors SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-10-27 US disclosed
US-20190023654-A1 N-SULFONYL BENZAMIDE DERIVATIVE WITH HETEROCYCLIC SUBSTITUENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-01-24 US disclosed
WO-2016124139-A1 HETEROCYCLIC-SUBSTITUTED N-SULFONYLBENZAMIDE DERIVATIVES, PREPARATION METHOD FOR DERIVATIVES, AND PHARMACEUTICAL USE OF DERIVATIVES 上海海雁医药科技有限公司 2016-08-11 WO disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 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 (4 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-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 TSHR 2617/4885ABCC4 371/4885PTGS1 1951/4885
US-20230312474-A1 PHENOL DERIVATIVE TYR, NCOR1, BET1 TSHR 2407/4885ABCC4 1529/4885PTGS1 2275/4885
US-10815197-B2 N-sulfonyl benzamides as voltage-gated sodium channel inhibitors SCN11A, SCN8A, NHERF1 TSHR 3806/4885ABCC4 170/4885PTGS1 1597/4885
US-20190023654-A1 N-SULFONYL BENZAMIDE DERIVATIVE WITH HETEROCYCLIC SUBSTITUENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF SLC5A11, SLC6A11, SLC5A1 TSHR 3093/4885ABCC4 98/4885PTGS1 1514/4885

“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.