SCHEMBL1026182

SCHEMBL1026182

COC(=O)c1cc(Oc2ccc(Nc3ccc(F)cc3)cc2)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.59
HDAC1 Q13547 10/20 0.59
GCK P35557 1/20 0.50
RAF1 P04049 2/20 0.48
ARAF P10398 2/20 0.48
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
HSD17B10 Q99714 3/20 0.47
GAA P10253 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HDAC3 O15379 7/20 0.46
HDAC4 P56524 7/20 0.46
HDAC7 Q8WUI4 7/20 0.46
HDAC2 Q92769 7/20 0.46
HDAC10 Q969S8 7/20 0.46
HDAC11 Q96DB2 7/20 0.46
HDAC8 Q9BY41 7/20 0.46

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
Hydrochloric Acid SCHEMBL2454106 0.92 BRAF (0.57) BRAFHDAC1GCKRAF1ARAF
SCHEMBL1026723 0.82 BRAF (0.56) BRAFHDAC1GCKRAF1ARAF
SCHEMBL2723179 0.80 ALDH1A1 (0.57) BRAFHDAC1GCKRAF1ARAF
SCHEMBL1025529 0.80 TDP1 (0.56) BRAFHDAC1HPGDMAPT
SCHEMBL12846985 0.80 BRAF (0.56) BRAFHDAC1GCKRAF1ARAF
SCHEMBL17530348 0.79 BRAF (0.58) BRAFHDAC1RAF1ARAFHPGD
SCHEMBL12789530 0.79 BRAF (0.61) BRAFHDAC1GCKRAF1ARAF
SCHEMBL165608 0.78 ALDH1A1 (0.62) HPGDALDH1A1KDM4EMAPTHSD17B10
SCHEMBL1074406 0.78 KDM4E (0.46) BRAFHDAC1RAF1ARAFHPGD
SCHEMBL2427949 0.77 HPGD (0.51) BRAFHDAC1GCKHPGDALDH1A1

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-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
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R BRAF 4179/4885HDAC1 1974/4885GCK 2887/4885

“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.