SCHEMBL12789530

SCHEMBL12789530

CC(=O)c1cc(Oc2ccc(F)cc2)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.61
HDAC1 Q13547 10/20 0.61
GCK P35557 2/20 0.54
HDAC3 O15379 7/20 0.47
HDAC4 P56524 7/20 0.47
HDAC7 Q8WUI4 7/20 0.47
HDAC2 Q92769 7/20 0.47
HDAC10 Q969S8 7/20 0.47
HDAC11 Q96DB2 7/20 0.47
HDAC8 Q9BY41 7/20 0.47
HDAC6 Q9UBN7 7/20 0.47
HDAC9 Q9UKV0 7/20 0.47
HDAC5 Q9UQL6 7/20 0.47
RAF1 P04049 2/20 0.46
ARAF P10398 2/20 0.46
KEAP1 Q14145 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOB P27338 2/20 0.44

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
SCHEMBL2426327 0.85 KEAP1 (0.66) BRAFHDAC1GCKHDAC3HDAC4
SCHEMBL9368064 0.83 MAOB (0.50) BRAFHDAC1GCKCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL2454106 0.83 BRAF (0.57) BRAFHDAC1GCKHDAC3HDAC4
SCHEMBL12846985 0.82 BRAF (0.56) BRAFHDAC1GCKHDAC3HDAC4
SCHEMBL29467969 0.81 KEAP1 (0.68) BRAFHDAC1HDAC3HDAC2KEAP1
SCHEMBL9665493 0.81 KEAP1 (0.68) BRAFHDAC1HDAC3HDAC2KEAP1
SCHEMBL6149918 0.80 MAOB (0.66) BRAFHDAC1CYP1A2CYP2C9CYP2C19
SCHEMBL1026182 0.79 BRAF (0.59) BRAFHDAC1GCKHDAC3HDAC4
SCHEMBL18070541 0.78 KDM4E (0.53) HDAC1HDAC3HDAC2KEAP1CYP1A2
SCHEMBL13715199 0.78 BRAF (0.58) BRAFHDAC1GCKHDAC3HDAC4

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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 BRAF 4467/4885HDAC1 612/4885GCK 525/4885

“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.