SCHEMBL3043556

SCHEMBL3043556

Cc1cccc(N(Cc2ccccc2)C(=O)c2ccncc2C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 2/20 0.57
JAK2 O60674 1/20 0.57
HTT P42858 1/20 0.57
PAX8 Q06710 1/20 0.57
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 1/20 0.52
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
PDK1 Q15118 6/20 0.47
TSPO P30536 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 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
SCHEMBL3055205 0.94 RAB9A (0.58) RAB9AALDH1A1NPC1JAK2HTT
SCHEMBL3065409 0.90 GAA (0.63) RAB9AHTTKMT2AGAATSHR
SCHEMBL3052473 0.88 NOS3 (0.61) RAB9AALDH1A1NPC1JAK2HTT
SCHEMBL3044246 0.88 RAB9A (0.57) RAB9AALDH1A1NPC1JAK2HTT
SCHEMBL3061621 0.86 GAA (0.55) RAB9AKMT2AGAATSHRMEN1
SCHEMBL3064672 0.86 RAB9A (0.55) RAB9AALDH1A1NPC1KMT2AGAA
SCHEMBL3065721 0.85 ALDH1A1 (0.62) RAB9AALDH1A1NPC1HTTKMT2A
SCHEMBL3053493 0.85 PDK1 (0.50) RAB9AALDH1A1NPC1JAK2HTT
SCHEMBL3058600 0.85 RAB9A (0.51) RAB9AKMT2AGAATSHRMEN1
SCHEMBL3062368 0.85 GAA (0.64) GAATSHRPDK1

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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US 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 RAB9A 1263/4885ALDH1A1 347/4885NPC1 736/4885

“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.