Sugi Predict

Sugi Predict / Compounds / SCHEMBL4545010

SCHEMBL4545010

SCHEMBL4545010

CCN(C)C(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.48
▸ HRH1 P35367 3/20 0.48
▸ SIGMAR1 Q99720 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ AOC3 Q16853 3/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALOX5 P09917 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ TAAR1 Q96RJ0 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RIPK1 Q13546 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
SCHEMBL12126145 1.00 HTR2A (0.48) HTR2AHRH1SIGMAR1KDM4EALDH1A1
SCHEMBL12127195 1.00 HTR2A (0.48) HTR2AHRH1SIGMAR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7570212 0.98 TDP1 (0.48) HTR2AHRH1SIGMAR1KDM4EALDH1A1
SCHEMBL9768691 0.84 HTR2A (0.56) HTR2AHRH1SIGMAR1KDM4EALDH1A1
SCHEMBL12573493 0.83 HTR2A (0.58) HTR2AHRH1KDM4EALDH1A1AOC3
SCHEMBL8026394 0.83 HTR2A (0.58) HTR2AHRH1KDM4EALDH1A1AOC3
SCHEMBL15596871 0.83 HTR2A (0.58) HTR2AHRH1KDM4EALDH1A1AOC3
SCHEMBL12423835 0.83 HTR2A (0.50) HTR2AHRH1SIGMAR1KDM4EALDH1A1
SCHEMBL12681604 0.83 HTR2A (0.50) HTR2AHRH1SIGMAR1KDM4EALDH1A1
SCHEMBL12509615 0.83 HTR2A (0.50) HTR2AHRH1SIGMAR1KDM4EALDH1A1

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
WO-2023125845-A1 HETEROAROMATIC BICYCLIC COMPOUND AND ANTIVIRAL APPLICATION THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 — — WO disclosed
CN-114984038-A Selenium-containing composition and its use for treating and preventing diseases or disorders associated with mitochondrial dysfunction 全技术公司 2022-09-02 — — CN disclosed
CN-114533753-A Selenium-containing composition and application thereof in treating and preventing diseases or symptoms related to mitochondrial dysfunction 全技术公司 2022-05-27 — — CN disclosed
CN-113694074-A Compositions of selenium organic compounds and methods of use thereof 全技术公司 2021-11-26 — — CN disclosed
EP-3144001-B1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF ALLTECH INC (US) 2021-08-11 — — EP disclosed
CN-106822168-B Compositions of selenium-containing organic compounds and methods of use thereof 全技术公司 2020-11-27 — — CN disclosed
US-10800785-B2 Substituted pyrrolo[2,3-d]pyridazin-4-ones and pyrazolo[3,4-d]pyridazin-4-ones as protein kinase inhibitors SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2020-10-13 — — US disclosed
EP-3116511-B1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF ALLTECH INC (US) 2020-08-26 — — EP disclosed
WO-2020143385-A1 ARYLAMIDE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2020-07-16 — — WO disclosed
EP-3481816-B1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-24 — — EP disclosed
WO-2015137983-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF ALLTECH, INC. (US) 2015-09-17 — — WO disclosed
US-9012658-B2 Automated synthesis of small molecules using chiral, non-racemic boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-21 — — US disclosed
WO-2014144776-A1 COMPOSITIONS COMPRISING SELENIUM AND USE OF SAME FOR THE TREATMENT AND PREVENTION OF DISEASE OR CONDITIONS ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION ALLTECH, INC. (US) 2014-09-18 — — WO disclosed
US-20120111411-A1 FULLERENE DERIVATIVE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2012-05-10 — — US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 — — US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 — — US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 — — US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 — — US disclosed
CN-87105264-A The processing of hydroperoxide mixture — 1988-05-18 — — CN disclosed
US-3932655-A CHELATING AGENTS, N-ALKYL BENZALKONIUM CHLORIDES INTERNATIONAL PHARMAKON LABORATORIES, INC. (US) 1976-01-13 — — 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 (4 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 HTR2A 410/4885HRH1 99/4885SIGMAR1 684/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 HTR2A 410/4885HRH1 99/4885SIGMAR1 684/4885
US-20120111411-A1 FULLERENE DERIVATIVE HCN2, KCNN2, TMEM109 HTR2A 2529/4885HRH1 4003/4885SIGMAR1 2953/4885
US-10800785-B2 Substituted pyrrolo[2,3-d]pyridazin-4-ones and pyrazolo[3,4-d]pyridazin-4-ones as protein kinase inhibitors BTK, TYK2, SYK HTR2A 2939/4885HRH1 2800/4885SIGMAR1 4168/4885

“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.