SCHEMBL3078645

SCHEMBL3078645

CC(Cc1ccccc1)NC(=O)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.76
ECE1 P42892 1/20 0.68
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
CTRC Q99895 1/20 0.60
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
TP53 P04637 1/20 0.55
EPHX2 P34913 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
ACACB O00763 1/20 0.52
PTAFR P25105 1/20 0.52
PLOD2 O00469 1/20 0.51
GAA P10253 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
Phosphoric Acid SCHEMBL30887090 0.96 LMNA (0.71) LMNAECE1NPC1RAB9ACTRC
SCHEMBL5555278 0.86 LMNA (1.00) LMNAECE1NPC1RAB9ACYP2C9
SCHEMBL880676 0.85 RAB9A (0.79) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL11949543 0.85 RAB9A (0.79) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1817969 0.84 ECE1 (0.70) LMNAECE1NPC1RAB9ACTRC
SCHEMBL25003863 0.84 LMNA (0.62) LMNAECE1NPC1RAB9ACTRC
SCHEMBL5553285 0.84 LMNA (0.65) LMNAECE1NPC1RAB9ACYP2C9
SCHEMBL23489730 0.84 ECE1 (0.65) LMNAECE1NPC1RAB9ACTRC
SCHEMBL30037998 0.83 GPR132 (0.69) LMNAECE1NPC1RAB9ACTRC
SCHEMBL3497405 0.83 GPR132 (0.69) LMNAECE1NPC1RAB9ACTRC

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 25 patents — showing the first 20. 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-7666328-B2 Comprising finely divided particles selected from noble metals, alloys of noble metals, refractory glass compositions, organic medium comprising ethyl cellulose, additional inorganic binder selected from metal oxides, non-oxide borides, non-oxide silicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-02-23 US disclosed
US-7303854-B2 Electrode-forming composition for field emission type of display device, and method using such a composition E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-12-04 US disclosed
US-7276325-B2 Using photosensitive copper conductive mixture of copper powder in binder; controlling particle sizes E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-10-02 US disclosed
CN-1983460-A Thick film conductor compositions and processing technology thereof for use in multilayer electronic circuits and devices DU PONT (US) 2007-06-20 CN disclosed
US-20070113952-A1 Comprising finely divided particles selected from noble metals, alloys of noble metals, refractory glass compositions, organic medium comprising ethyl cellulose, additional inorganic binder selected from metal oxides, non-oxide borides, non-oxide silicides MICROMAX (US) HOLDINGS LLC 2007-05-24 US disclosed
EP-1788616-A2 Thick film conductor compositions and processing technology thereof for use in multilayer electronic circuits and devices E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-05-23 EP disclosed
EP-1750286-A1 Conductor composition for use in LTCC photosensitive tape on substrate applications E.I.Du pont de nemours and company (US) 2007-02-07 EP disclosed
US-20070023388-A1 Conductor composition for use in LTCC photosensitive tape on substrate applications E. I. DU PONT DE NEMOURS AND COMPANY 2007-02-01 US disclosed
CN-1904733-A Conductor composition for use in LTCC photosensitive tape on substrate applications DU PONT (US) 2007-01-31 CN disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
US-20040191690-A1 Electrode-forming composition for field emission type of display device, and method using such a composition E.I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 US disclosed
EP-1447713-A1 Electrode-forming composition for field emission type of display device and method using such a composition E.I. du Pont de Nemours and Company (US) 2004-08-18 EP 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
EP-0710106-A4 METHOD OF TREATING ADDICTIVE BEHAVIORS HITZIG PIETR (US) 1999-07-21 EP disclosed
US-5658955-A Combined use of dopamine and serotonin agonists in the treatment of immune disorders HITZIG PIETR (US) 1997-08-19 US disclosed
EP-0710106-A1 METHOD OF TREATING ADDICTIVE BEHAVIORS HITZIG, Pietr (US) 1996-05-08 EP disclosed
US-5502080-A Combined use of dopamine and serotonin agonists in the treatment of allergic disorders HITZIG PIETR (US) 1996-03-26 US disclosed
WO-1994021244-A1 METHOD OF TREATING ADDICTIVE BEHAVIORS HITZIG PIETR (US) 1994-09-29 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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT LMNA 3496/4885ECE1 3944/4885NPC1 2192/4885

“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.