SCHEMBL11980656

SCHEMBL11980656

Cc1cc2c(O)ccnc2cc1-c1c(C)noc1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.51
NSD3 Q9BZ95 1/20 0.44
BRD2 P25440 7/20 0.43
BRD3 Q15059 6/20 0.43
ERN1 O75460 1/20 0.40
CYP3A4 P08684 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CREBBP Q92793 1/20 0.37
TLR8 Q9NR97 1/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
AR P10275 1/20 0.37
PDE4B Q07343 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
SCHEMBL18249987 0.86 NSD3 (0.50) BRD4NSD3BRD2BRD3ERN1
SCHEMBL18249960 0.86 BRD4 (0.49) BRD4NSD3BRD2BRD3ERN1
SCHEMBL11985075 0.84 BRD4 (0.61) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18249909 0.84 BRD4 (0.47) BRD4NSD3BRD2BRD3ERN1
SCHEMBL1905359 0.79 BRD4 (0.56) BRD4BRD2BRD3ERN1CYP3A4
SCHEMBL16619466 0.77 BRD4 (0.48) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL11980665 0.76 BRD4 (0.46) BRD4BRD2BRD3ERN1CYP3A4
SCHEMBL15960727 0.75 TLR8 (0.45) CYP3A4CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL11980664 0.73 ERN1 (0.47) BRD4BRD2BRD3ERN1CYP3A4
SCHEMBL21136920 0.72 TLR8 (0.46) CYP3A4TLR8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133436-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases GLAXOSMITHKLINE LLC 2015-05-14 US disclosed
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-8557984-B2 Imidazo [4, 5-C] quinoline derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-10-15 US disclosed
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-09-13 US disclosed
US-20120208800-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases GLAXOSMITHKLINE LLC 2012-08-16 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 (6 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-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME BRDT, BRD2, BRD4 BRD4 3/4885NSD3 128/4885BRD2 2/4885
US-20120208800-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases BRD4, BRD3, BRPF3 BRD4 1/4885NSD3 89/4885BRD2 4/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 BRD4 2/4885NSD3 780/4885BRD2 5/4885
US-20150133436-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases BRD4, BRD3, BRPF3 BRD4 1/4885NSD3 89/4885BRD2 4/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 BRD4 2/4885NSD3 1450/4885BRD2 5/4885
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors BRD4, BRD3, BRPF3 BRD4 1/4885NSD3 64/4885BRD2 5/4885

“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.