SCHEMBL2585276

SCHEMBL2585276

CC(C(=O)O)n1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
CYP26A1 O43174 5/20 0.44
TBXA2R P21731 1/20 0.43
TBXAS1 P24557 2/20 0.42
CYP17A1 P05093 2/20 0.42
CYP19A1 P11511 2/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20518637 1.00 KDM4E (0.45) KDM4ECYP26A1TBXA2RTBXAS1CYP17A1
Bromide SCHEMBL28354965 0.98 KDM4E (0.44) KDM4ECYP26A1TBXA2RTBXAS1CYP17A1
Hydrochloric Acid SCHEMBL27966647 0.98 KDM4E (0.44) KDM4ECYP26A1TBXA2RTBXAS1CYP17A1
Sulfuric Acid SCHEMBL28494274 0.93 KDM4E (0.41) KDM4ECYP26A1TBXA2RTBXAS1CYP17A1
SCHEMBL28177904 0.83 KDM4E (0.42) KDM4ECYP26A1TBXA2RCYP17A1CYP19A1
SCHEMBL17484629 0.83 KDM4E (0.42) KDM4ECYP26A1TBXA2RCYP17A1CYP19A1
SCHEMBL4171040 0.82 KDM4E (0.41) KDM4ECYP26A1TBXA2RCYP17A1CYP19A1
SCHEMBL27673215 0.82 KDM4E (0.41) KDM4ECYP26A1TBXA2RCYP17A1CYP19A1
Bicarbonate SCHEMBL28505567 0.81 KDM4E (0.46) KDM4ECYP26A1TBXAS1CYP17A1CYP19A1
SCHEMBL27968394 0.80 CYP26A1 (0.45) KDM4ECYP26A1TBXAS1CYP17A1CYP19A1

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
CN-104662004-B Novel rebamipide prodrug, method for producing same, and usage thereof 三进制药株式会社 2017-04-19 CN claimed
CN-102690291-B Imidazole ionic liquid supported chiral phosphine ligands and preparation method thereof UNIV QINGDAO SCIENCE & TECHNOLOGY 2014-07-30 CN claimed
CN-101678011-A Spiro-indolinone compounds MERCK & CO INC 2010-03-24 CN claimed
CN-119522299-A Use of a composition comprising a polyaminoamide-type compound for copper nano twin electrodeposition 巴斯夫欧洲公司 2025-02-25 CN disclosed
CN-118043502-A Composition for copper electrodeposition comprising a polyaminoamide leveling agent 巴斯夫欧洲公司 2024-05-14 CN disclosed
US-20230391760-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-12-07 US disclosed
US-20230011118-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-01-12 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2021252859-A1 INHIBITORS OF APOL1 AND USE OF THE SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-12-16 WO disclosed
EP-3820474-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS Nikang Therapeutics, Inc. (US) 2021-05-19 EP disclosed
CN-107353431-B Aluminum-plastic composite packaging material separating agent based on ionic liquid and separating method thereof 陕西科技大学 2020-11-20 CN disclosed
US-7666851-B1 Three ring fused analogs of isoguanosine BENNER STEVEN ALBERT 2010-02-23 US disclosed
WO-2008099165-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-08-21 WO disclosed
US-7384731-B2 Method for forming color image and silver halide color photosensitive material used for the same FUJIFILM CORPORATION (JP) 2008-06-10 US disclosed
US-7250456-B2 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2007-07-31 US disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 WO disclosed
US-5703241-A TREATING CANCER MERCK & CO., INC. (US) 1997-12-30 US disclosed
US-5387585-A Treating epilepsy, anxiety, sleep disorders, schizophrnia, senile dementia HOFFMANN-LA ROCHE INC. (US) 1995-02-07 US 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-20230391760-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR KDM4E 3398/4885CYP26A1 1323/4885TBXA2R 122/4885
US-20230011118-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, SAAL1 KDM4E 4564/4885CYP26A1 1444/4885TBXA2R 2651/4885

“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.