SCHEMBL3048580

SCHEMBL3048580

Cc1cccc(CN(C(=O)c2ccncc2C)c2ccccc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
HSP90AA1 P07900 1/20 0.44
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
JAK2 O60674 1/20 0.42
HTT P42858 1/20 0.42
PAX8 Q06710 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
PDK1 Q15118 8/20 0.42
LMNA P02545 2/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL3052135 0.91 TRPM8 (0.48) NOS3NOS1NOS2PDK1LMNA
SCHEMBL3050510 0.87 ALDH1A1 (0.46) RAB9AHSP90AA1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3055205 0.85 RAB9A (0.58) RAB9AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL3054364 0.85 RAB9A (0.47) RAB9AHSP90AA1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3058493 0.85 NOS3 (0.50) RAB9AHSP90AA1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3050876 0.83 PDK1 (0.46) HTTNOS3NOS1NOS2PDK1
SCHEMBL3054615 0.83 NOS3 (0.45) ALDH1A1KDM4EHTTNOS3NOS1
SCHEMBL3043556 0.82 RAB9A (0.65) RAB9AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL3064588 0.82 NOS3 (0.44) HSP90AA1ALDH1A1KDM4EHTTNOS3
SCHEMBL3058475 0.82 NOS3 (0.43) RAB9AALDH1A1NOS3NOS1NOS2

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 RAB9A 1263/4885HSP90AA1 3013/4885ALDH1A1 347/4885

“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.