SCHEMBL17556136

SCHEMBL17556136

O=S1(=O)CCN(CCCBr)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
CNR2 P34972 1/20 0.32
PAOX Q6QHF9 1/20 0.31
SLC6A4 P31645 1/20 0.30
ADRA2B P18089 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL1097457 0.79 KMT2A (0.37) KMT2AMEN1HPGDCYP1A2CYP2C19
SCHEMBL2016182 0.77 KMT2A (0.36) KMT2AMEN1HPGDCYP1A2CYP2C19
SCHEMBL4057851 0.77 KMT2A (0.40) KMT2AMEN1HPGDCYP1A2CYP2C19
SCHEMBL806010 0.77 GNAI3 (0.41) KMT2AMEN1HPGDNPC1ALDH1A1
SCHEMBL1098264 0.77 KMT2A (0.36) KMT2AMEN1HPGDCYP1A2CYP2C19
SCHEMBL1097459 0.77 KMT2A (0.36) KMT2AMEN1HPGDCYP1A2CYP2C19
SCHEMBL1098265 0.77 KEAP1 (0.50) KMT2AMEN1
SCHEMBL9129002 0.77 HRH3 (0.43) ALDH1A1HRH3
SCHEMBL5564599 0.76 HRH3 (0.36) KMT2AMEN1HPGDCYP1A2CYP2C19
SCHEMBL11269259 0.76 KEAP1 (0.43) KMT2AMEN1HRH3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3750893-B1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-04-19 EP disclosed
US-11407760-B2 Dioxinoquinoline compounds, preparation method and uses thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-08-09 US disclosed
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF ACCSALUS BIOSCIENCES LIMITED (VG) 2020-12-24 US disclosed
EP-3750893-A1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2020-12-16 EP disclosed
US-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMAN-LA ROCHE INC. (US) 2019-01-29 US disclosed
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
US-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-03-10 US disclosed
CN-105392787-A Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN LA ROCHE 2016-03-09 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 (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-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 KMT2A 624/4885MEN1 3380/4885HPGD 3717/4885
US-11407760-B2 Dioxinoquinoline compounds, preparation method and uses thereof KDR, MET, ABL1 KMT2A 335/4885MEN1 360/4885HPGD 3999/4885
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF KDR, MET, ABL1 KMT2A 335/4885MEN1 360/4885HPGD 3999/4885
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 KMT2A 624/4885MEN1 3380/4885HPGD 3717/4885
US-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection IDO1, ZC3HAV1, AZI2 KMT2A 550/4885MEN1 2992/4885HPGD 3244/4885

“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.