SCHEMBL3065041

SCHEMBL3065041

O=C(c1ccncc1)N(Cc1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
GAA P10253 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
MLYCD O95822 4/20 0.55
PTGES O14684 1/20 0.52
ALOX5 P09917 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAPK14 Q16539 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
PDK2 Q15119 1/20 0.49
PDK4 Q16654 1/20 0.49
PDK1 Q15118 2/20 0.48
GPBAR1 Q8TDU6 1/20 0.48
RORC P51449 1/20 0.48
ACHE P22303 1/20 0.47
MTOR P42345 1/20 0.45

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
SCHEMBL3053663 0.88 NR1H4 (0.72) TSHRGAANR1H4MLYCDPTGES
SCHEMBL3060251 0.87 TSHR (0.71) TSHRGAANR1H4PTGESALOX5
SCHEMBL3060156 0.86 MAPK14 (0.66) TSHRGAANR1H4PTGESALOX5
SCHEMBL3052776 0.84 TSHR (0.59) TSHRGAANR1H4PTGESALOX5
SCHEMBL3057341 0.84 TSHR (0.59) TSHRGAANR1H4PTGESALOX5
SCHEMBL3059654 0.83 GAA (0.50) TSHRGAANR1H4PDK2PDK4
SCHEMBL3064689 0.82 TSHR (0.46) TSHRGAANR1H4MAPK14PDK1
SCHEMBL3053508 0.81 TSHR (0.48) TSHRGAAMLYCDMAPK14MEN1
SCHEMBL3053571 0.79 MAPK14 (0.63) TSHRGAAPTGESALOX5MAPK14
SCHEMBL3053543 0.78 TSHR (0.59) TSHRGAANR1H4PTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
CN-101405268-A Amide derivatives and their use for the treatment of protein-related diseases NOVARTIS AG (CH) 2009-04-08 CN disclosed
EP-2001851-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREAMENT OF G PROTEIN RELATED DISEASES Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 TSHR 384/4885GAA 1212/4885NR1H4 100/4885

“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.