SCHEMBL2588985

SCHEMBL2588985

Cn1ncc(I)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.36
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
HTT P42858 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
P2RX7 Q99572 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
SCHEMBL16177346 0.82 ALDH1A1 (0.41) KDM4EALDH1A1KMT2AHTTL3MBTL1
SCHEMBL16177237 0.79 CNR2 (0.46) KDM4EALDH1A1KMT2AHTTTDP1
SCHEMBL2212203 0.77 L3MBTL1 (0.39) KDM4EALDH1A1KMT2AHTTL3MBTL1
SCHEMBL68535 0.77 PDE10A (0.41) KDM4EALDH1A1KMT2AHTTL3MBTL1
SCHEMBL1432563 0.75 HTT (0.43) KDM4EKMT2AHTTL3MBTL1POLB
SCHEMBL7449090 0.75 KMT2A (0.36) KDM4EALDH1A1KMT2AHTTL3MBTL1
SCHEMBL13982923 0.75 GAA (0.36) KMT2AHTTL3MBTL1POLBMAPT
SCHEMBL1357879 0.75 HTT (0.50) HTTL3MBTL1POLBGAASMN1; SMN2
SCHEMBL1431321 0.75 HTT (0.53) KDM4EALDH1A1KMT2AHTTMAPT
SCHEMBL15897830 0.75 NPC1 (0.44) KDM4EALDH1A1KMT2AHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-11-21 US disclosed
EP-4192814-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-08-07 EP disclosed
CN-117616011-A Inhibitors of transglutaminase 策迪拉有限公司 2024-02-27 CN disclosed
CN-113354677-B Acrylonitrile compound and preparation method and application thereof 华中师范大学 2023-08-01 CN disclosed
EP-4192814-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2023-06-14 EP disclosed
WO-2023275337-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
CN-113354677-A Acrylonitrile compound and preparation method and application thereof 华中师范大学 2021-09-07 CN disclosed
CN-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 CN disclosed
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-9816992-B2 Compositions and methods relating to Lyme disease THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-11-14 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2013-08-15 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
WO-2013110026-A1 COMPOSITIONS AND METHODS RELATING TO LYME DISEASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, CENTERS FOR DISEASE CONTROL AND PREVENTION (US) 2013-07-25 WO disclosed
EP-2566858-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS Pfizer Inc. (US) 2013-03-13 EP disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 WO disclosed
US-7316931-B2 Mass defect labeling for the determination of oligomer sequences TARGET DISCOVERY, INC. (US) 2008-01-08 US disclosed
US-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US disclosed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 US disclosed
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 EP 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-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PRKCB, PRKCA, PRKCG KDM4E 1349/4885ALDH1A1 3069/4885KMT2A 1579/4885
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 KDM4E 967/4885ALDH1A1 1825/4885KMT2A 988/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 KDM4E 4418/4885ALDH1A1 4135/4885KMT2A 2450/4885
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM4, GRM1 KDM4E 1472/4885ALDH1A1 2554/4885KMT2A 1336/4885
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, ACVR1 KDM4E 528/4885ALDH1A1 143/4885KMT2A 1198/4885

“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.