SCHEMBL3058600

SCHEMBL3058600

Cc1cnccc1C(=O)N(Cc1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
PDK1 Q15118 3/20 0.48
TACR1 P25103 2/20 0.48
HDAC6 Q9UBN7 6/20 0.48
HDAC1 Q13547 5/20 0.48
HDAC8 Q9BY41 5/20 0.48
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
ATF1 P18846 1/20 0.45
NFKB1 P19838 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC5 Q9UQL6 1/20 0.43
LTB4R2 Q9NPC1 2/20 0.43
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL3059654 0.88 GAA (0.50) PDK1TACR1GAATSHRATF1
SCHEMBL4661455 0.88 GAA (0.50) RAB9APDK1TACR1GAATSHR
SCHEMBL3044246 0.86 RAB9A (0.57) RAB9APDK1GAATSHRNOS3
SCHEMBL3043556 0.85 RAB9A (0.65) RAB9APDK1GAATSHRNOS3
SCHEMBL3065409 0.85 GAA (0.63) RAB9APDK1GAATSHRKMT2A
SCHEMBL3052473 0.84 NOS3 (0.61) RAB9APDK1GAATSHRNOS3
SCHEMBL3043503 0.82 PDK1 (0.51) RAB9APDK1NOS3NOS1NOS2
SCHEMBL3055205 0.82 RAB9A (0.58) RAB9APDK1GAATSHRNOS3
SCHEMBL3064672 0.82 RAB9A (0.55) RAB9APDK1GAATSHRNOS3
SCHEMBL3058609 0.81 NOS1 (0.51) TACR1HDAC6HDAC1HDAC8NOS3

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 2 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

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 RAB9A 1263/4885PDK1 2335/4885TACR1 83/4885

“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.