SCHEMBL2548779

SCHEMBL2548779

O=Cc1ccc(-c2ccsc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.53
CYP2A6 P11509 4/20 0.52
CYP2E1 P05181 2/20 0.52
CYP2B6 P20813 2/20 0.52
GSK3B P49841 1/20 0.51
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
KCNH2 Q12809 1/20 0.44
DRD1 P21728 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
PTPRC P08575 1/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
CHEK2 O96017 1/20 0.40
PTGS1 P23219 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
Hydrochloric Acid SCHEMBL27743518 0.98 ERN1 (0.51) ERN1CYP2A6CYP2E1CYP2B6GSK3B
SCHEMBL18002228 0.81 ERN1 (0.51) ERN1CYP2A6CYP2E1CYP2B6GSK3B
SCHEMBL27989815 0.81 CYP2A6 (0.74) ERN1CYP2A6CYP2E1CYP2B6GSK3B
SCHEMBL28985375 0.78 CYP2A6 (0.52) ERN1CYP2A6CYP2E1CYP2B6GSK3B
SCHEMBL25288128 0.78 CYP2A6 (0.58) CYP2A6DRD1
SCHEMBL976904 0.78 CYP2A6 (0.58) CYP2A6DRD1
SCHEMBL1666706 0.78 CYP2A6 (0.58) CYP2A6DRD1
SCHEMBL27335985 0.78 CYP2A6 (0.58) CYP2A6DRD1
SCHEMBL18002045 0.77 CYP2A6 (0.62) ERN1CYP2A6CYP2E1CYP2B6GSK3B
SCHEMBL7523352 0.76 ERN1 (0.51) ERN1CYP2A6CYP2E1CYP2B6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371752-A Antibacterial packaging material and preparation method thereof 深圳市国盛新材料科技有限公司 2025-01-28 CN claimed
CN-118085245-B Thiophene copolymer and preparation method and application thereof 链行走新材料科技(广州)有限公司 2024-07-30 CN claimed
CN-118085245-A Thiophene copolymer and preparation method and application thereof 链行走新材料科技(广州)有限公司 2024-05-28 CN claimed
US-9539336-B2 Sialic acid derivatives BROSSMER REINHARD (DE) 2017-01-10 US claimed
EP-2863925-B1 SIALIC ACID DERIVATIVES BROSSMER REINHARD (DE) 2016-09-14 EP claimed
US-20150174262-A1 Sialic Acid Derivatives BROSSMER REINHARD (DE) 2015-06-25 US claimed
US-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2014-12-18 US claimed
CN-119371752-A Antibacterial packaging material and preparation method thereof 深圳市国盛新材料科技有限公司 2025-01-28 CN disclosed
CN-119371752-A Antibacterial packaging material and preparation method thereof 深圳市国盛新材料科技有限公司 2025-01-28 CN disclosed
CN-118085245-B Thiophene copolymer and preparation method and application thereof 链行走新材料科技(广州)有限公司 2024-07-30 CN disclosed
CN-118085245-B Thiophene copolymer and preparation method and application thereof 链行走新材料科技(广州)有限公司 2024-07-30 CN disclosed
CN-118085245-A Thiophene copolymer and preparation method and application thereof 链行走新材料科技(广州)有限公司 2024-05-28 CN disclosed
CN-118085245-A Thiophene copolymer and preparation method and application thereof 链行走新材料科技(广州)有限公司 2024-05-28 CN disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
WO-2006047167-A2 9 ALKYL AND 9 ALKYLIDENYL 6-0 ALKYL-11, 12 CARBAMATE KETOLIDE ANTIMICROBIALS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 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-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 ERN1 2748/4885CYP2A6 3023/4885CYP2E1 3863/4885
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ERN1 3496/4885CYP2A6 1654/4885CYP2E1 1363/4885
US-20150174262-A1 Sialic Acid Derivatives NEU1, SIGLEC9, SIGLEC7 ERN1 1413/4885CYP2A6 1018/4885CYP2E1 2764/4885

“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.