SCHEMBL5500966

SCHEMBL5500966

CC(=O)c1cccc(-c2c(Cl)cc(N)cc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
BRD2 P25440 1/20 0.49
CREBBP Q92793 1/20 0.49
DHFR P00374 2/20 0.45
HDAC2 Q92769 1/20 0.45
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
FYN P06241 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MAP4K4 O95819 2/20 0.41
CSNK1G2 P78368 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
MAP4K5 Q9Y4K4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR68 Q15743 1/20 0.40

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
SCHEMBL12577690 0.81 BRD4 (0.59) BRD4BRD2CREBBPDHFRHDAC2
SCHEMBL5500199 0.79 ALDH1A1 (0.60) BRD4BRD2CREBBPMEN1MAPT
SCHEMBL3786043 0.78 FYN (0.57) BRD4BRD2CREBBPDHFRHDAC2
SCHEMBL10389918 0.76 MAP4K4 (0.59) BRD4BRD2CREBBPDHFRHDAC2
SCHEMBL3786461 0.76 HDAC2 (0.56) BRD4BRD2CREBBPDHFRHDAC2
SCHEMBL4212927 0.76 RXRA (0.71) BRD4BRD2CREBBPDHFRHDAC2
SCHEMBL20108364 0.76 RXRA (0.36) BRD4BRD2CREBBPHDAC2RXRA
SCHEMBL2586835 0.74 KMO (0.59) BRD4BRD2CREBBPDHFRHDAC2
SCHEMBL2689671 0.74 BRD4 (0.52) BRD4BRD2CREBBPDHFRHDAC2
SCHEMBL2558630 0.74 KMO (0.51) DHFRHDAC2RXRARXRBFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 US disclosed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 EP disclosed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 BRD4 933/4885BRD2 1497/4885CREBBP 889/4885

“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.