SCHEMBL6484244

SCHEMBL6484244

CCN(CC)Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(C#N)cc3)ccc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
MAPK14 Q16539 5/20 0.49
ROCK2 O75116 1/20 0.48
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
ACHE P22303 1/20 0.47
BCHE P06276 3/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAF1 P04049 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 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
SCHEMBL6486398 0.92 MAPK14 (0.54) NPC1MAPK14ROCK2MEN1RAB9A
SCHEMBL6484987 0.84 NPC1 (0.51) NPC1MAPK14MEN1RAB9AKMT2A
SCHEMBL6477653 0.84 BCHE (0.53) NPC1MAPK14ABL1BCRHDAC6
SCHEMBL7804556 0.84 ROCK2 (0.49) MAPK14ROCK2HDAC6ACHEBCHE
SCHEMBL7673456 0.82 ABL1 (0.51) NPC1MAPK14ABL1BCRHDAC6
SCHEMBL6477268 0.82 MAPK14 (0.61) NPC1MAPK14MEN1RAB9AKMT2A
SCHEMBL6485615 0.80 MAPK14 (0.52) NPC1MAPK14ROCK2MEN1RAB9A
SCHEMBL6476046 0.80 BCHE (0.49) NPC1BCHEBRAF
SCHEMBL6970346 0.80 MAPK14 (0.51) NPC1MAPK14ABL1BCRHDAC6
SCHEMBL6484241 0.80 MAPK14 (0.50) NPC1MAPK14MEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6956037-B2 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB (SE) 2005-10-18 US disclosed
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
US-20030212068-A1 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB 2003-11-13 US disclosed
US-6579872-B1 Such as TNF, in particular of TNF alpha, and various interleukins, in particular IL-1; N-(5-(4-(3-hydroxypropoxy)benzamido)-2-methylphenyl)-3,4-dimethoxybenzamide ASTRAZENECA AB (SE) 2003-06-17 US disclosed
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 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-20030212068-A1 Benzamide derivatives for the treatment of diseases mediated by cytokines IL2, IL6, IL6ST NPC1 1549/4885MAPK14 2054/4885ROCK2 1862/4885

“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.