SCHEMBL3750772

SCHEMBL3750772

[CH2]C(c1ccccc1)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR2A P28223 3/20 0.46
HRH1 P35367 3/20 0.46
TDP1 Q9NUW8 1/20 0.44
AOC3 Q16853 8/20 0.43
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 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
SCHEMBL42818 0.80
SCHEMBL316110 0.80
SCHEMBL1870280 0.80
SCHEMBL27418689 0.78 MIF (0.44) KDM4EALDH1A1HTR2AHRH1TDP1
SCHEMBL28147710 0.78 MIF (0.44) KDM4EALDH1A1HTR2AHRH1TDP1
Hydrochloric Acid SCHEMBL10398523 0.78 TDP1 (0.48) KDM4EALDH1A1HTR2AHRH1TDP1
SCHEMBL28101931 0.76 ALOX5 (0.43) KDM4EALDH1A1HTR2AHRH1TDP1
SCHEMBL28236640 0.76 TSHR (0.46) KDM4EALDH1A1HTR2AHRH1TDP1
SCHEMBL27417154 0.75 KDM4E (0.36) KDM4EALDH1A1HTR2AHRH1TDP1
SCHEMBL5831027 0.74 DPP4 (0.38) KDM4EALDH1A1HTR2AHRH1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601282-B1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2021-07-21 EP claimed
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-05-26 US claimed
EP-3601282-A1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP claimed
US-20180327425-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2018-11-15 US claimed
WO-2018178041-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection F. HOFFMANN-LA ROCHE AG (CH) 2018-10-04 WO claimed
CN-102892758-B Pyridine and pyrazine derivatives for the treatment of CF NOVARTIS AG 2015-01-07 CN claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
WO-1994010142-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-05-11 WO claimed
JP-61277614-A None JP disclosed
EP-3601282-B1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2021-07-21 EP disclosed
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-05-26 US disclosed
EP-0755262-A1 COMPOSITION FOR THE TREATMENT OF LUNG DISEASE MERCK & CO. INC. (US) 1997-01-29 EP disclosed
WO-1995032196-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-30 WO disclosed
WO-1994010142-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-05-11 WO disclosed
JP-S61277614-A ANTIPLASMIN AGENT SHOWA DENKO KK 1986-12-08 JP 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-20180327425-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 KDM4E 2366/4885ALDH1A1 1539/4885HTR2A 284/4885
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 KDM4E 2366/4885ALDH1A1 1539/4885HTR2A 284/4885
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, KYNU KDM4E 2505/4885ALDH1A1 1214/4885HTR2A 296/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 KDM4E 4057/4885ALDH1A1 315/4885HTR2A 2585/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KDM4E 4100/4885ALDH1A1 310/4885HTR2A 1827/4885

“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.