SCHEMBL1798568

SCHEMBL1798568

OCCc1cccc(CNCCc2ccccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.58
▸ ADRB2 P07550 5/20 0.50
▸ ADRB1 P08588 4/20 0.50
▸ ADRA1D P25100 4/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ DRD2 P14416 2/20 0.49
▸ ALOX15 P16050 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ CD274 Q9NZQ7 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ BCHE P06276 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
SCHEMBL5575878 0.87 KDM4E (0.66) KDM4EADRB2ADRB1ADRA1DCYP1A2
SCHEMBL30338402 0.87 KDM4E (0.66) KDM4EADRB2ADRB1ADRA1DCYP1A2
SCHEMBL6742452 0.82 CYP1A2 (0.60) KDM4ECYP1A2CYP2D6ALOX15ALDH1A1
SCHEMBL18768781 0.82 KDM4E (0.56) KDM4EADRB2ADRB1ADRA1DCYP1A2
SCHEMBL27614718 0.78 ALDH1A1 (0.60) KDM4ECYP1A2CYP2D6ALOX15ALDH1A1
SCHEMBL30225577 0.77 KMT2A (0.68) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL14931741 0.77 KMT2A (0.68) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL1392847 0.77 CHRM2 (0.70) KDM4ECYP1A2CYP2D6ALOX15ALDH1A1
Oxalic Acid SCHEMBL2539860 0.76 ALDH1A1 (0.54) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL5573633 0.76 CHRM2 (0.60) KDM4EADRB2CYP1A2CYP2D6ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 — — US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 — — US disclosed
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 — — EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 — — 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 (1 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 KDM4E 4838/4885ADRB2 1/4885ADRB1 2/4885

“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.

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