SCHEMBL1026723

SCHEMBL1026723

COC(=O)c1cc(Oc2ccc(N)cc2)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.56
HDAC1 Q13547 6/20 0.56
HDAC3 O15379 3/20 0.56
HDAC4 P56524 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56
ALDH1A1 P00352 6/20 0.55
GAA P10253 4/20 0.55
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 3/20 0.55
HPGD P15428 2/20 0.55
TSHR P16473 2/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL2723179 0.89 ALDH1A1 (0.57) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL7122639 0.89 GAA (0.56) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL17530348 0.88 BRAF (0.58) BRAFHDAC1HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL2454106 0.86 BRAF (0.57) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL1026672 0.84 ALDH1A1 (0.54) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL267307 0.83 KDM4E (0.62) ALDH1A1GAAHSD17B10KDM4EMAPT
SCHEMBL6168887 0.83 GAA (0.66) ALDH1A1GAAHSD17B10KDM4EMAPT
SCHEMBL1659490 0.82 ALDH1A1 (0.50) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL1026182 0.82 BRAF (0.59) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL1027446 0.81 KMT2A (0.61) BRAFHDAC1HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 WO disclosed
EP-2005177-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM Tibotec Pharmaceuticals Ltd. (IE) 2008-12-24 EP disclosed
WO-2007113337-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 WO disclosed
WO-2007113337-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 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 (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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R BRAF 4179/4885HDAC1 1974/4885HDAC3 1564/4885
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM C1QBP, CD4, CHRM4 BRAF 4469/4885HDAC1 4770/4885HDAC3 3888/4885

“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.