SCHEMBL183663

SCHEMBL183663

O=[C]OCc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP17A1 P05093 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
MGMT P16455 1/20 0.37
POLB P06746 2/20 0.36
ABCB1 P08183 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
FDPS P14324 1/20 0.34

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
SCHEMBL1455815 0.78 LOXL2 (0.45) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9661135 0.77 LOXL2 (0.47) LOXL2HSD17B10
SCHEMBL502 0.76 TSHR (0.52) ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL8881644 0.76 TSHR (0.52) ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL5542341 0.75 HRH1 (0.46) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1361794 0.75 NAPRT (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP19A1
SCHEMBL3092949 0.74 IDO1 (0.50) ALDH1A1CYP2C19KDM4EKMT2A
SCHEMBL7617607 0.74 TSHR (0.50) ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL5254429 0.74 HRH1 (0.48) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL95538 0.73 IDO1 (0.52) LOXL2

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 1150 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831059-B1 PROCESSES FOR PREPARING TUBULYSIN DERIVATIVES AND CONJUGATES THEREOF ENDOCYTE INC (US) 2017-11-29 EP claimed
EP-1493747-B1 PROCESS FOR PRODUCING MODIFIED PEPTIDE DAIICHI SANKYO CO LTD (JP) 2012-12-19 EP claimed
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US claimed
US-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES FUTURECHEM CO., LTD. (KR) 2012-08-23 US claimed
CN-102382124-A Ceftizoxime alapivoxil synthesized from cephalosporin drug intermediate and preparation method thereof UNIV ZHENGZHOU 2012-03-21 CN claimed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US claimed
US-7829564-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2010-11-09 US claimed
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2009-01-22 US claimed
CN-100357267-C Use of 2, 4-diamino-3-hydroxycarboxylic acid derivatives as proteasome inhibitors NOVARTIS AG (CH) 2007-12-26 CN claimed
CN-101085765-A Compound with proteasome inhibition function and its preparing method and application UNIV BEIJING (CN) 2007-12-12 CN claimed
EP-0218099-B1 AMIDES OF TEICOPLANIN COMPOUNDS GRUPPO LEPETIT S.p.A. (IT) 1991-12-11 EP claimed
US-5011940-A Process for the preparation of bicyclic amino carboxylic acids, intermediates in this process, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-30 US claimed
EP-0370283-A2 Process for preparing 63-carboxyamides of teicoplanin antibiotics GRUPPO LEPETIT S.p.A. (IT) 1990-05-30 EP claimed
EP-0340245-A1 SUBSTITUTED ALKYLAMIDES OF TEICOPLANIN COMPOUNDS. LEPETIT SPA (IT) 1989-11-08 EP claimed
US-4857520-A Fused azepinone and azocinone derivatives, processes for their preparation, agents containing them and their use, and intermediates in their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-15 US claimed
WO-1988006600-A1 SUBSTITUTED ALKYLAMIDES OF TEICOPLANIN COMPOUNDS GRUPPO LEPETIT S.P.A. (IT) 1988-09-07 WO claimed
CN-86106046-A The acid amides of teicoplanin compounds 1987-08-12 CN claimed
EP-0218099-A2 Amides of teicoplanin compounds GRUPPO LEPETIT S.p.A. (IT) 1987-04-15 EP claimed
US-4185014-A Kentenimine intermediates for 6α-methoxy-α-carboxy penicillins BEECHAM GROUP LIMITED (GB) 1980-01-22 US claimed
US-4098777-A OLIGOPEPTIDES, TREATMENT OF AUTOIMMUNE DISEASES MERCK & CO., INC. (US) 1978-07-04 US claimed

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-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS DNPEP, ASPH, PREP LOXL2 3809/4885ALDH1A1 1555/4885CYP1A2 3715/4885
US-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES APP, FABP7, SLC3A2 LOXL2 3024/4885ALDH1A1 2595/4885CYP1A2 2662/4885

“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.