SCHEMBL5495469

SCHEMBL5495469

OCCc1cccc2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
TBXAS1 P24557 1/20 0.54
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
CHRM1 P11229 2/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.43
GLS O94925 1/20 0.43
NSD2 O96028 1/20 0.42
CYP3A4 P08684 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6180305 0.90 CYP19A1 (0.47) CYP19A1TBXAS1KDM4EMAPTMEN1
SCHEMBL6880778 0.89 CYP19A1 (0.51) CYP19A1TBXAS1KDM4EMAPTMEN1
SCHEMBL6176955 0.86 LOXL2 (0.60) CYP19A1TBXAS1KDM4EMAPTMEN1
SCHEMBL3136413 0.86 KDM4E (0.56) CYP19A1TBXAS1KDM4EMAPTMEN1
Quinoline SCHEMBL28116882 0.82 CYP3A4 (0.49) CYP19A1TBXAS1KDM4EMAPTMEN1
SCHEMBL5537149 0.81 CYP19A1 (0.54) CYP19A1TBXAS1KDM4EMAPTMEN1
SCHEMBL6970292 0.81 CYP19A1 (0.54) CYP19A1TBXAS1KDM4EMAPTMEN1
SCHEMBL22497966 0.81 CYP19A1 (0.54) CYP19A1TBXAS1KDM4EMAPTMEN1
SCHEMBL5500729 0.81 CYP19A1 (0.54) CYP19A1TBXAS1KDM4EMAPTMEN1
SCHEMBL6114797 0.81 CYP19A1 (0.54) CYP19A1TBXAS1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118924802-A Preparation of Centipeda minima ethanol extract for promoting killing CD8+Application of T cell infiltration solid tumor medicine 广州中医药大学(广州中医药研究院) 2024-11-12 CN disclosed
US-20230398146-A1 IMMUNE MODULATION OF MYELOID DERIVED SUPPRESSIVE CELL FUNCTION FOR CANCER TREATMENT SURGE Therapeutics, Inc. 2023-12-14 US disclosed
US-20230065368-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11512090-B2 Muscarinic acetylcholine M1 receptor antagonists Pipeline Therapeutics, Inc. (US) 2022-11-29 US disclosed
US-20220332721-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CONTINEUM THERAPEUTICS, INC. 2022-10-20 US disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
US-20220144853-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2022-05-12 US disclosed
EP-3947394-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2022-02-09 EP disclosed
CN-113939521-A Imidazoline derivatives as CXCR4 modulators 巴黎大学 2022-01-14 CN disclosed
WO-2006036497-A2 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2006-04-06 WO disclosed
EP-1392280-A4 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 EP disclosed
US-6642255-B2 Substituted carbocyclic or heterocyclic hydroxamic acid derivatives, e.g., (3R,4S)-N-hydroxy-1-methyl-3-(((4-((2-methyl-4 -quinolinyl)methoxylphenyl)sulfonyl)methyl)-4-piperidinecarboxamide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed
EP-1355648-A2 1,2-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLORPROTEASES AND TNF-$g(a) Bristol-Myers Squibb Pharma Company (US) 2003-10-29 EP disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 US disclosed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 WO disclosed
WO-2002055491-A2 1,2-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLORPROTEASES AND TNF-$g(a) BRISTOL MYERS SQUIBB COMPANY P (US) 2002-07-18 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 (5 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-20220144853-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCL12, CXCR1 CYP19A1 2856/4885TBXAS1 722/4885KDM4E 4006/4885
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof CASP1, IRAK1, STS CYP19A1 1657/4885TBXAS1 1913/4885KDM4E 1557/4885
US-20230065368-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X USP9X, USP19, USP39 CYP19A1 2287/4885TBXAS1 3741/4885KDM4E 576/4885
US-20220332721-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 CYP19A1 2179/4885TBXAS1 2463/4885KDM4E 2921/4885
US-11512090-B2 Muscarinic acetylcholine M1 receptor antagonists CHRM1, CHRM2, CHRM5 CYP19A1 2179/4885TBXAS1 2463/4885KDM4E 2921/4885

“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.