SCHEMBL4994664

SCHEMBL4994664

COc1c(Br)csc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
CA4 P22748 4/20 0.42
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.34
APOBEC3A P31941 1/20 0.34
HTT P42858 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
TPMT P51580 1/20 0.32
CA1 P00915 2/20 0.31
CA6 P23280 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL27935667 0.78 PDE4A (0.38) CA2CA4MAPTTSHRAPOBEC3A
SCHEMBL22711494 0.78 CA2 (0.35) CA2CA4MAPTTSHRAPOBEC3A
SCHEMBL321000 0.73
SCHEMBL10614301 0.72
SCHEMBL23413045 0.71 KDM4E (0.40) MAPTTSHRHSD17B10ALOX15NPC1
SCHEMBL13933259 0.70
SCHEMBL12086920 0.69 MAPT (0.47) MAPTTSHRNCOA1NCOA3HSD17B10
SCHEMBL16065202 0.68
SCHEMBL28272412 0.67
SCHEMBL31398758 0.67 CA2 (0.44) CA2CA4CA1CA6PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655685-B Thiophene derivative and use thereof 藤本株式会社 2023-11-17 CN disclosed
EP-3744719-B1 THIOPHENE DERIVATIVE AND USE THEREOF FUJIMOTO CO LTD (JP) 2023-06-07 EP disclosed
US-11299485-B2 Thiophene derivative and use thereof FUJIMOTO CO., LTD. (JP) 2022-04-12 US disclosed
US-20210061795-A1 THIOPHENE DERIVATIVE AND USE THEREOF FUJIMOTO CO., LTD. (JP) 2021-03-04 US disclosed
EP-3744719-A1 THIOPHENE DERIVATIVE AND USE THEREOF Fujimoto Co., Ltd. (JP) 2020-12-02 EP disclosed
CN-111655685-A Thiophene derivative and use thereof 藤本株式会社 2020-09-11 CN disclosed
EP-1551818-B1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2009-02-04 EP disclosed
US-7368472-B2 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system H. LUNDBECK A/S (DK) 2008-05-06 US disclosed
EP-1578740-B1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM LUNDBECK & CO AS H (DK) 2007-03-21 EP disclosed
US-20060014822-A1 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system H. LUNDBECK A/S (DK) 2006-01-19 US disclosed
EP-1578740-A1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. Lundbeck A/S (DK) 2005-09-28 EP disclosed
WO-2004058739-A1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2004-07-15 WO 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-20210061795-A1 THIOPHENE DERIVATIVE AND USE THEREOF TNF, TPMT, CD47 CA2 3420/4885CA4 2854/4885MAPT 3905/4885
US-20060014822-A1 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system PMP22, GRIN2B, AVPR1B CA2 1547/4885CA4 1377/4885MAPT 392/4885
US-11299485-B2 Thiophene derivative and use thereof TNF, TPMT, CD47 CA2 3420/4885CA4 2854/4885MAPT 3905/4885

“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.