SCHEMBL4429286

SCHEMBL4429286

O=S(=O)(Cl)c1ccc2nc[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.52
KDM4E B2RXH2 4/20 0.50
MAPT P10636 3/20 0.50
CYP3A4 P08684 1/20 0.50
NAMPT P43490 1/20 0.50
XDH P47989 1/20 0.50
RAD52 P43351 1/20 0.50
MMP12 P39900 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
FEN1 P39748 1/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42

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
SCHEMBL4429284 0.87 PRKCI (0.42) PRKCIKDM4EMAPTCYP3A4NAMPT
SCHEMBL362001 0.81 POLB (0.58) PRKCIKDM4EMAPTCYP3A4NAMPT
SCHEMBL29724218 0.81 PRKCI (0.52) PRKCIKDM4EMAPTCYP3A4NAMPT
SCHEMBL1266025 0.81 PRKCI (0.52) PRKCIKDM4EMAPTCYP3A4NAMPT
SCHEMBL27786200 0.81 PRKCI (0.52) PRKCIKDM4EMAPTCYP3A4NAMPT
SCHEMBL571364 0.81 PRKCI (0.52) PRKCIKDM4EMAPTCYP3A4NAMPT
Hydrochloric Acid SCHEMBL11090118 0.80 KDM4E (0.53) PRKCIKDM4EMAPTCYP3A4NAMPT
Potassium SCHEMBL2918771 0.80 PRKCI (0.50) PRKCIKDM4EMAPTCYP3A4NAMPT
SCHEMBL3659063 0.80 PARP1 (0.61) ALDH1A1SMN1; SMN2
SCHEMBL17845255 0.79 PRKCI (0.49) PRKCIKDM4EMAPTCYP3A4NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304129-A Azaalkanone derivative or pharmaceutically acceptable salt thereof, preparation method and application thereof, and pharmaceutical composition 中国医学科学院医药生物技术研究所 2023-12-29 CN disclosed
US-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2023-01-24 US disclosed
US-20210340154-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2021-11-04 US disclosed
US-10927123-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2021-02-23 US disclosed
US-20200270264-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-08-27 US disclosed
US-10662200-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2020-05-26 US disclosed
EP-3105210-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-12-21 EP disclosed
WO-2015121209-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
EP-2010526-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120101-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-10-25 WO 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-20210340154-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 PRKCI 1786/4885KDM4E 4666/4885MAPT 4585/4885
US-10927123-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 PRKCI 1822/4885KDM4E 4669/4885MAPT 4632/4885
US-10662200-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 PRKCI 1822/4885KDM4E 4669/4885MAPT 4632/4885
US-20200270264-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 PRKCI 1822/4885KDM4E 4669/4885MAPT 4632/4885
US-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 PRKCI 1822/4885KDM4E 4669/4885MAPT 4632/4885

“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.