SCHEMBL3575917

SCHEMBL3575917

Brc1ccc(C2CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC1 Q13547 1/20 0.50
KDM1A O60341 5/20 0.44
KCNH2 Q12809 2/20 0.44
MAOB P27338 2/20 0.44
RCOR1 Q9UKL0 2/20 0.44
KDM1B Q8NB78 1/20 0.44
BRD4 O60885 1/20 0.42
CYP2A6 P11509 1/20 0.42
ESR2 Q92731 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NOTUM Q6P988 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HSP90AA1 P07900 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
SCHEMBL126116 0.97 HDAC8 (0.48) HDAC8HDAC6HDAC1KDM1AKCNH2
SCHEMBL21609716 0.97 HDAC8 (0.48) HDAC8HDAC6HDAC1KDM1AKCNH2
SCHEMBL30056544 0.97 HDAC8 (0.48) HDAC8HDAC6HDAC1KDM1AKCNH2
SCHEMBL17061138 0.97 HDAC8 (0.48) HDAC8HDAC6HDAC1KDM1AKCNH2
SCHEMBL233178 0.95 ESR2 (0.47) HDAC8HDAC6HDAC1KDM1AKCNH2
SCHEMBL14804315 0.89 KDM1A (0.48) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL265495 0.89 KDM1A (0.48) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL781509 0.86 HDAC1 (0.54) HDAC8HDAC6HDAC1ESR2NOTUM
SCHEMBL25274751 0.85 HDAC8 (0.41) HDAC8HDAC6HDAC1KDM1AKCNH2
Pyrrolidine SCHEMBL9026279 0.85 CYP2D6 (0.45) HDAC8HDAC6HDAC1KCNH2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
CN-117510421-B Fluorine-containing benzotriazolyl fluorescent compound for optical transfer film and synthesis method thereof 河北美星化工有限公司 2024-04-05 CN disclosed
CN-117616028-A 2, 8-dihydropyrazolo [3,4-B ] indole derivatives for the treatment of cancer 默克专利股份公司 2024-02-27 CN disclosed
CN-117510421-A Fluorine-containing benzotriazolyl fluorescent compound for optical transfer film and synthesis method thereof 河北美星化工有限公司 2024-02-06 CN disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20230002396-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-01-05 US disclosed
CN-115515959-A Tricyclic heterocycles as TEAD binders 默克专利股份公司 2022-12-23 CN disclosed
CN-114786778-A Therapeutic compounds 基因泰克公司 2022-07-22 CN disclosed
CN-107286953-B Cyclopentyl negative dielectric anisotropy liquid crystal compound and composition and application thereof 北京八亿时空液晶科技股份有限公司 2020-06-05 CN disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO disclosed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US disclosed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 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 (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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP HDAC8 425/4885HDAC6 401/4885HDAC1 86/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP HDAC8 773/4885HDAC6 1725/4885HDAC1 734/4885
US-20230002396-A1 THERAPEUTIC COMPOUNDS YAP1, YES1, TEAD2 HDAC8 1465/4885HDAC6 314/4885HDAC1 1334/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 HDAC8 4068/4885HDAC6 3172/4885HDAC1 3939/4885

“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.