SCHEMBL5875217

SCHEMBL5875217

O=c1ccc(=O)n(C2CCCO2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 3/20 0.39
CDK4 P11802 2/20 0.39
CDK2 P24941 2/20 0.39
MEN1 O00255 2/20 0.39
CHEK1 O14757 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
EIF2AK2 P19525 1/20 0.38
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 1/20 0.35
PRKCB P05771 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL5026596 0.77 CYP1A2 (0.41) KDM4ETSHRKMT2ACDK4CDK2
SCHEMBL6070776 0.71 TP53 (0.50) KDM4ETSHRKMT2ACDK4CDK2
SCHEMBL29198503 0.70 TSHR (0.41) KDM4ETSHRKMT2ACDK4CDK2
SCHEMBL9083175 0.69 CCR2 (0.44) KDM4ETSHRKMT2AMEN1HSD17B10
SCHEMBL5026506 0.68 POLB (0.37) KMT2ACDK4CDK2MEN1CHEK1
SCHEMBL29010524 0.67 MEN1 (0.34) KDM4ETSHRKMT2ACDK4CDK2
SCHEMBL29010536 0.67 MEN1 (0.34) KDM4ETSHRKMT2ACDK4CDK2
SCHEMBL9838267 0.67 KMT2A (0.49) KDM4ETSHRKMT2AMEN1HSD17B10
SCHEMBL11626863 0.67 ALDH1A1 (0.42) KDM4ETSHRKMT2AMEN1CYP1A2
SCHEMBL8540288 0.67 DDB1 (0.36) KMT2ACDK4CDK2MEN1CHEK1

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-7041662-B2 Substituted benzo [b] azepin-2-one compounds GRUNENTHAL GMBH (DE) 2006-05-09 US disclosed
US-20040224938-A1 Substituted benzo [b] azepin-2-one compounds GRUNENTHAL GMBH (DE) 2004-11-11 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 (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-20040224938-A1 Substituted benzo [b] azepin-2-one compounds GABARAPL2, GABBR2, GABBR1 KDM4E 2617/4885TSHR 4537/4885KMT2A 3810/4885

“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.