SCHEMBL4886068

SCHEMBL4886068

O=Cc1cc(Cl)cc2cc[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.44
AHR P35869 3/20 0.41
F7 P08709 1/20 0.41
LTA4H P09960 1/20 0.41
F3 P13726 1/20 0.41
NR4A2 P43354 1/20 0.41
TNF P01375 1/20 0.39
RIPK1 Q13546 1/20 0.39
IKBKB O14920 3/20 0.39
CHUK O15111 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP2A6 P11509 2/20 0.38
CMA1 P23946 1/20 0.37
BACE1 P56817 1/20 0.35
CHEK1 O14757 1/20 0.34
GRM5 P41594 1/20 0.33
CCR8 P51685 1/20 0.32

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
SCHEMBL633855 0.79 AHR (0.42) ERN1AHRTNFRIPK1IKBKB
SCHEMBL30993119 0.78 CYP2A6 (0.41) ERN1AHRNR4A2IKBKBCHUK
SCHEMBL2264767 0.78 ERN1 (0.44) ERN1CYP2A6BACE1GRM5
SCHEMBL4890681 0.77 BACE1 (0.46) AHRF7LTA4HF3NR4A2
SCHEMBL4890683 0.77 BACE1 (0.46) AHRF7LTA4HF3NR4A2
SCHEMBL838245 0.74 AHR (0.54) AHRF7LTA4HF3NR4A2
SCHEMBL21315701 0.74 AHR (0.48) AHRF7LTA4HF3NR4A2
SCHEMBL2428320 0.74 CYP2A6 (0.35) CYP2A6BACE1
SCHEMBL5385498 0.74 ERN1 (0.45) ERN1TDP1CYP2A6BACE1
SCHEMBL31347308 0.71 DYRK1A (0.37) ERN1AHRTNFRIPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 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 (2 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-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C ERN1 2655/4885AHR 523/4885F7 918/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C ERN1 3333/4885AHR 1267/4885F7 1791/4885

“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.