SCHEMBL3079077

SCHEMBL3079077

CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
NPSR1 Q6W5P4 2/20 0.62
GFER P55789 1/20 0.62
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 4/20 0.61
ALDH1A1 P00352 6/20 0.60
GAA P10253 1/20 0.55
LMNA P02545 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
KMT2A Q03164 2/20 0.54
CYP3A4 P08684 1/20 0.54
TP53 P04637 2/20 0.54
USP2 O75604 1/20 0.54
NAMPT P43490 1/20 0.53
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
MAOA P21397 1/20 0.52

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
SCHEMBL22983264 0.89 RAB9A (0.60) MAPTNPSR1GFERRAB9ASMN1; SMN2
Nicametate SCHEMBL5060940 0.86 L3MBTL1 (0.68) MAPTNPSR1SMN1; SMN2ALDH1A1GAA
Nicametate SCHEMBL34040 0.86 L3MBTL1 (0.68) MAPTNPSR1SMN1; SMN2ALDH1A1GAA
SCHEMBL13683778 0.85 NPSR1 (0.63) MAPTNPSR1GFERRAB9ASMN1; SMN2
SCHEMBL7336785 0.85 ALDH1A1 (0.79) MAPTNPSR1GFERRAB9ASMN1; SMN2
Nicametate SCHEMBL28346401 0.82 L3MBTL1 (0.63) MAPTNPSR1SMN1; SMN2ALDH1A1GAA
SCHEMBL5582633 0.81 SMN1; SMN2 (0.69) MAPTNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL13989069 0.81 SMN1; SMN2 (0.53) MAPTNPSR1RAB9ASMN1; SMN2NPC1
Procaine SCHEMBL9312338 0.80 CYP2D6 (0.69) MAPTNPSR1SMN1; SMN2ALDH1A1GAA
SCHEMBL14083866 0.79 TRPV1 (0.61) MAPTSMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
US-20070010700-A1 Safety containers for biologically active substances and method for producing said container BAXTER INTERNATIONAL INC (US) 2007-01-11 US disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
EP-1585679-A1 SAFETY CONTAINERS FOR BIOLOGICALLY ACTIVE SUBSTANCES AND METHOD FOR PRODUCING SAID CONTAINER Baxter Healthcare S.A. (CH) 2005-10-19 EP disclosed
WO-2004063036-A1 SAFETY CONTAINERS FOR BIOLOGICALLY ACTIVE SUBSTANCES AND METHOD FOR PRODUCING SAID CONTAINER BAXTER HEALTHCARE S.A. (CH) 2004-07-29 WO disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 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 (3 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A MAPT 1527/4885NPSR1 434/4885GFER 4220/4885
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT MAPT 2497/4885NPSR1 2343/4885GFER 1982/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 MAPT 3341/4885NPSR1 4550/4885GFER 2696/4885

“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.