SCHEMBL25008728

SCHEMBL25008728

CC(=O)N1c2ccc(C(N)=O)cc2C[C@@H](C)[C@@H]1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CTPS1 P17812 1/20 0.41
HSD17B3 P37058 1/20 0.40
TNF P01375 1/20 0.39
RAB9A P51151 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
NOTUM Q6P988 1/20 0.39
BRD4 O60885 4/20 0.39
CCL2 P13500 2/20 0.39
BRD2 P25440 1/20 0.39
EP300 Q09472 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 0.39
CREBBP Q92793 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.37

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
SCHEMBL21172645 1.00 MAPT (0.42) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL21172774 0.89 MAPT (0.43) MAPTHPGDKDM4EHSD17B10TNF
SCHEMBL21172952 0.85 MAPT (0.41) MAPTHPGDTNFRAB9ANOD2
SCHEMBL21172590 0.85 MAPT (0.41) MAPTHPGDTNFRAB9ANOD2
SCHEMBL21172968 0.85 ALDH1A1 (0.46) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL21172548 0.85 ALDH1A1 (0.46) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL21173200 0.84 KDM4E (0.45) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL24348012 0.83 KMT2A (0.45) TNFNOD2NOD1NOTUMBRD4
SCHEMBL21172617 0.82 ALDH1A1 (0.46) ALDH1A1RAB9ANOTUMKMT2AMEN1
SCHEMBL21173006 0.82 KDM4E (0.43) MAPTHPGDKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040299-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2023-02-09 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-20230040299-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 MAPT 1231/4885HPGD 1592/4885KDM4E 789/4885

“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.