SCHEMBL3064672

SCHEMBL3064672

COc1cccc(N(Cc2ccccc2)C(=O)c2ccncc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
TSHR P16473 2/20 0.48
GAA P10253 1/20 0.48
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
PDK1 Q15118 6/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
MAPK1 P28482 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 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
SCHEMBL3043556 0.86 RAB9A (0.65) RAB9ANPC1TSHRGAAPDK1
SCHEMBL3065409 0.86 GAA (0.63) RAB9ATSHRGAAPDK1KMT2A
SCHEMBL3044246 0.84 RAB9A (0.57) RAB9ANPC1TSHRGAAPDK1
SCHEMBL3052473 0.84 NOS3 (0.61) RAB9ANPC1TSHRGAAPDK1
SCHEMBL3054466 0.84 NPC1 (0.66) RAB9ANPC1MTNR1AMTNR1BTSHR
SCHEMBL3064585 0.83 GAA (0.51) TSHRGAAPTGESALOX5PDK1
SCHEMBL3055205 0.83 RAB9A (0.58) RAB9ANPC1TSHRGAAPDK1
SCHEMBL3064954 0.83 MAPK14 (0.49) RAB9ATSHRGAAPDK1
SCHEMBL3048769 0.83 GAA (0.51) TSHRGAAPDK1ALDH1A1MEN1
SCHEMBL3065721 0.82 ALDH1A1 (0.62) RAB9ANPC1TSHRGAAPDK1

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 1263/4885NPC1 736/4885MTNR1A 1010/4885

“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.