SCHEMBL4795400

SCHEMBL4795400

CC(=O)N1Cc2ccc(NC(=O)c3ccccc3)cc2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.67
TMPRSS2 O15393 2/20 0.62
L3MBTL3 Q96JM7 1/20 0.60
NAMPT P43490 4/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.59
GAA P10253 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
ACHE P22303 5/20 0.58
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
NOTUM Q6P988 1/20 0.54
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
CACNA1B Q00975 1/20 0.51

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
SCHEMBL2639194 0.90 TMPRSS2 (0.74) HSD17B3TMPRSS2L3MBTL3NAMPTNPC1
SCHEMBL14067305 0.82 NAMPT (0.56) NAMPTNPC1RAB9AKMT2ANOTUM
SCHEMBL22493880 0.81 TMPRSS2 (0.57) HSD17B3TMPRSS2L3MBTL3NAMPTNPC1
SCHEMBL4798831 0.81 HSD17B3 (1.00) HSD17B3TMPRSS2NPC1RAB9AHTT
SCHEMBL6295065 0.80 NPC1 (0.66) HSD17B3TMPRSS2NPC1RAB9AHTT
SCHEMBL14590631 0.78 NOTUM (0.50) TMPRSS2NAMPTSMN1; SMN2KMT2ANOTUM
SCHEMBL8744889 0.77 NPC1 (0.71) HSD17B3NPC1RAB9AHTTSMN1; SMN2
SCHEMBL22312326 0.77 NOTUM (0.56) HSD17B3L3MBTL3NAMPTNOTUM
SCHEMBL14871647 0.77 TMPRSS2 (0.76) HSD17B3TMPRSS2NPC1RAB9ASMN1; SMN2
SCHEMBL22493893 0.77 LMNA (0.59) TMPRSS2L3MBTL3NAMPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
CN-101282932-A Carboxyamine compounds and their use in the treatment of HDAC dependent diseases NOVARTIS AG (CH) 2008-10-08 CN claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO claimed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 HSD17B3 2478/4885TMPRSS2 2421/4885L3MBTL3 2446/4885

“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.