SCHEMBL4889689

SCHEMBL4889689

CC(=O)CC(C)(C)c1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 2/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MAPK1 P28482 1/20 0.43
NR4A2 P43354 1/20 0.43
CREBBP Q92793 1/20 0.43
CFTR P13569 1/20 0.43
GSK3B P49841 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ATM Q13315 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
SCHEMBL25139960 0.82 PBRM1 (0.54) PBRM1SLC22A6GPR84KMT2ALMNA
SCHEMBL17866727 0.79 PBRM1 (0.54) PBRM1SLC22A6GPR84KMT2ALMNA
SCHEMBL13611510 0.78 GPR84 (0.47) GPR84KMT2AMEN1TSHRCYP2C19
SCHEMBL16791424 0.78 ADAM17 (0.48) PBRM1SLC22A6GPR84KMT2ALMNA
SCHEMBL27301362 0.78 ADAM17 (0.50) PBRM1GPR84KMT2ALMNAMEN1
SCHEMBL273916 0.77 HTR2A (0.47) GPR84KMT2AMEN1CYP1A2TSHR
SCHEMBL29611302 0.77 HTR2A (0.47) GPR84KMT2AMEN1CYP1A2TSHR
SCHEMBL5851063 0.76 LMNA (0.56) PBRM1SLC22A6GPR84KMT2ALMNA
SCHEMBL30969153 0.76 GPR84 (0.46) GPR84KMT2AMEN1TSHRCYP2C19
Hydrochloric Acid SCHEMBL4526379 0.76 PMP22 (0.49) GPR84KMT2AMEN1CYP1A2TSHR

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 PBRM1 897/4885SLC22A6 2768/4885GPR84 404/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C PBRM1 939/4885SLC22A6 1105/4885GPR84 334/4885

“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.