SCHEMBL994085

SCHEMBL994085

COc1cc(OC)c(B(O)O)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.41
NNMT P40261 2/20 0.40
ERN1 O75460 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TUBB4A P04350 5/20 0.37
TUBB P07437 5/20 0.37
TUBA3C P0DPH7 5/20 0.37
TUBA1B P68363 5/20 0.37
TUBA4A P68366 5/20 0.37
TUBB4B P68371 5/20 0.37
TUBB3 Q13509 5/20 0.37
TUBB2A Q13885 5/20 0.37
TUBB8 Q3ZCM7 5/20 0.37
TUBA3E Q6PEY2 5/20 0.37
TUBA1A Q71U36 5/20 0.37
TUBA1C Q9BQE3 5/20 0.37
TUBB6 Q9BUF5 5/20 0.37
TUBB2B Q9BVA1 5/20 0.37

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
SCHEMBL29479358 0.84 ENPP2 (0.41) ENPP2NNMTERN1ALDH1A1KDM4E
SCHEMBL16115824 0.84 ENPP2 (0.41) ENPP2NNMTERN1ALDH1A1KDM4E
SCHEMBL29652708 0.80 NNMT (0.51) NNMTERN1ALDH1A1PDGFRBPDGFRA
SCHEMBL1459819 0.80 NNMT (0.51) NNMTERN1ALDH1A1PDGFRBPDGFRA
SCHEMBL29953594 0.80 ENPP2 (0.41) ENPP2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL15009942 0.78 ENPP2 (0.39) ENPP2ERN1ALDH1A1KDM4ETUBB4A
SCHEMBL17629368 0.77 NNMT (0.38) ENPP2NNMTERN1ALDH1A1KDM4E
SCHEMBL24085430 0.76 NNMT (0.40) ENPP2NNMTERN1SIRT6GABRP
SCHEMBL20517223 0.76 NNMT (0.47) ENPP2NNMTERN1ALDH1A1SIRT6
SCHEMBL5748850 0.76 ENPP2 (0.37) ENPP2ALDH1A1HPGDTUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-106810557-B Heterocyclic compounds and their use 南京圣和药物研发有限公司 2021-05-04 CN disclosed
EP-2855483-B1 PYRROLOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2017-10-25 EP disclosed
CN-104379574-B For suppressing the heterocyclic carbamate derivatives of the activity of ABL1, ABL2 and BCR ABL1 诺华股份有限公司 2017-03-01 CN disclosed
CN-104321325-B Pyrrolopyrrole alkanone compound 诺华股份有限公司 2016-11-16 CN disclosed
CN-105801550-A Novel benzopyran kinase modulators 理森制药股份公司 2016-07-27 CN disclosed
US-9365576-B2 Pyrrolopyrrolidinone compounds NOVARTIS AG (CH) 2016-06-14 US disclosed
CN-104592128-A SUBSTITUTED CINNOLINE DERIVATIVES AS GABAA-RECEPTOR MODULATORS AND METHOD FOR THEIR SYNTHESIS ASTRAZENECA AB 2015-05-06 CN disclosed
EP-2855483-A1 PYRROLOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2015-04-08 EP disclosed
CN-104379574-A Benzamide derivatives for inhibiting the activity of ABL1, ABL 2 and BCR-ABL 1 NOVARTIS AG 2015-02-25 CN disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 US disclosed
US-20080194579-A1 1,3-Dihydro-Imidazo [4,5-C] Quinolin-2-Ones as Lipid Kinase Inhibitors NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP disclosed
CN-101229164-A Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL MYERS SQUIBB CO (US) 2008-07-30 CN disclosed
CN-100384423-C Compositions and antiviral activity of substituted azaindoloxoacetylpiperazine derivatives BRISTOL MYERS SQUIBB CO (US) 2008-04-30 CN disclosed
CN-100379421-C Compositions and antiviral activity of substituted azaindoloxoacetylpiperazine derivatives BRISTOL MYERS SQUIBB CO (US) 2008-04-09 CN disclosed
EP-1888578-A2 IMIDAZOQUINOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2008-02-20 EP disclosed
WO-2006122806-A2 1,3-DIHYDRO-IMIDAZO [4,5-C] QUINOLIN-2-ONES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2006-11-23 WO disclosed
CN-1688311-A Compositions and antiviral activity of substituted azaindoloxoacetylpiperazine derivatives BRISTOL MYERS SQUIBB CO (US) 2005-10-26 CN disclosed
CN-1612763-A Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL MYERS SQUIBB CO (US) 2005-05-04 CN 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-20080194579-A1 1,3-Dihydro-Imidazo [4,5-C] Quinolin-2-Ones as Lipid Kinase Inhibitors PDPK1, PI4KA, PIP4K2A ENPP2 509/4885NNMT 1191/4885ERN1 1660/4885
US-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A ENPP2 3529/4885NNMT 521/4885ERN1 1651/4885

“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.