SCHEMBL3523748

SCHEMBL3523748

BrCc1noc2cc(Br)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
SCD5 Q86SK9 1/20 0.34
ESR1 P03372 5/20 0.34
ESR2 Q92731 5/20 0.34
HSP90AA1 P07900 2/20 0.34
LMNA P02545 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
MAOB P27338 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
PRNP P04156 1/20 0.33

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
SCHEMBL23218521 0.85 MAPT (0.41) ACHEESR1ESR2LMNACA12
SCHEMBL19793133 0.84 ACHE (0.44) ACHESCD5ESR1ESR2HSP90AA1
SCHEMBL9688281 0.80 ALDH1A1 (0.42) ACHELMNACA12CA1CA2
SCHEMBL2774476 0.80 ACHE (0.42) ACHE
SCHEMBL4406390 0.80 MAPT (0.46) ESR1ESR2LMNAMAPTSMN1; SMN2
SCHEMBL3524883 0.78 MAPT (0.56) ACHESCD5LMNAMAPTSMN1; SMN2
SCHEMBL13244919 0.78 ESR1 (0.39) ACHESCD5ESR1ESR2HSP90AA1
SCHEMBL1942334 0.77 IDO1 (0.46) ACHESCD5ESR1ESR2HSP90AA1
SCHEMBL3523047 0.76 ACHE (0.59) ACHESCD5MAPTSMN1; SMN2KDM4E
SCHEMBL3524808 0.75 ACHE (0.58) ACHESCD5MAPTSMN1; SMN2KDM4E

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
US-20250179055-A1 Substituted 2-(pyrrolidine-3-yl)acetic acid derivative, preparation method and use thereof INNOVSTONE THERAPEUTICS LIMITED (CN) 2025-06-05 US disclosed
WO-2025103442-A1 SUBSTITUTED 2-(PYRROLIDIN-3-YL)ACETIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2025-05-22 WO disclosed
CN-109574945-B Isoxazoline derivatives and their use in agriculture 东莞市东阳光农药研发有限公司 2021-04-20 CN disclosed
WO-2019062802-A1 ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION DONGGUAN HEC TECH R & D CO., LTD. (CN) 2019-04-04 WO disclosed
WO-2018216822-A1 NOVEL IMIDAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
EP-1531812-B1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed
EP-1531812-B1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis SMITHKLINE BEECHAM CORPORATION 2006-06-08 US disclosed
EP-1531812-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
WO-2004010995-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 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 (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-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 ACHE 4513/4885SCD5 4466/4885ESR1 4490/4885
US-20250179055-A1 Substituted 2-(pyrrolidine-3-yl)acetic acid derivative, preparation method and use thereof PCSK9, LPL, LYPLA1 ACHE 1920/4885SCD5 162/4885ESR1 4483/4885

“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.