SCHEMBL7329481

SCHEMBL7329481

O=C(O)c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.73
ROCK1 Q13464 1/20 0.73
NAMPT P43490 2/20 0.72
LMNA P02545 1/20 0.71
HIF1A Q16665 1/20 0.71
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
TP53 P04637 1/20 0.67
KCNK3 O14649 1/20 0.66
KMT2A Q03164 4/20 0.65
CYP3A4 P08684 1/20 0.65
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 3/20 0.63
MAPT P10636 1/20 0.63
GFER P55789 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
APP P05067 1/20 0.62
GAA P10253 1/20 0.62
HCAR3 P49019 1/20 0.62

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
Nicotinanilide SCHEMBL352439 0.88 LMNA (0.83) ROCK2ROCK1NAMPTLMNAHIF1A
Nicotinanilide SCHEMBL29067673 0.88 LMNA (0.83) ROCK2ROCK1NAMPTLMNAHIF1A
Nicotinanilide SCHEMBL8155304 0.87 LMNA (0.81) ROCK2ROCK1NAMPTLMNAHIF1A
SCHEMBL29596226 0.86 ROCK2 (0.71) ROCK2ROCK1NAMPTLMNAHIF1A
SCHEMBL6602214 0.86 ROCK2 (0.71) ROCK2ROCK1NAMPTLMNAHIF1A
SCHEMBL21391312 0.86 ROCK2 (0.71) ROCK2ROCK1NAMPTLMNAHIF1A
SCHEMBL3093627 0.86 ROCK2 (0.71) ROCK2ROCK1NAMPTLMNAHIF1A
SCHEMBL5384036 0.85 ROCK2 (0.76) ROCK2ROCK1NAMPTLMNAHIF1A
SCHEMBL3642636 0.85 NAMPT (0.81) NAMPTLMNAHIF1ANPC1RAB9A
SCHEMBL14880208 0.85 ROCK2 (1.00) ROCK2ROCK1NAMPTLMNAHIF1A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016102969-A1 INHIBITION OF HAIR GROWTH THE UNIVERSITY OF MANCHESTER (GB) 2016-06-30 WO claimed
US-20220324899-A1 COMPOUNDS AND COMPOSITIONS FOR DIFFERENTIAL MODULATION OF NICOTINAMIDE ADENINE DINUCLEOTIDE METRO INTERNATIONAL BIOTECH, LLC 2022-10-13 US disclosed
EP-4013766-A1 COMPOUNDS AND COMPOSITIONS FOR DIFFERENTIAL MODULATION OF NICOTINAMIDE ADENINE DINUCLEOTIDE Metro International Biotech, LLC (US) 2022-06-22 EP disclosed
US-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN SANOFI (FR) 2021-06-10 US disclosed
WO-2021030551-A1 COMPOUNDS AND COMPOSITIONS FOR DIFFERENTIAL MODULATION OF NICOTINAMIDE ADENINE DINUCLEOTIDE METRO INTERNATIONAL BIOTECH, LLC (US) 2021-02-18 WO disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
WO-2016102969-A1 INHIBITION OF HAIR GROWTH THE UNIVERSITY OF MANCHESTER (GB) 2016-06-30 WO disclosed
US-5869483-A KIDNEY DISEASES AMERICAN CYANAMID COMPANY (US) 1999-02-09 US disclosed
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
US-5834461-A TREATING CONGESTIVE HEART FAILURE AMERICAN CYANAMID COMPANY (US) 1998-11-10 US disclosed
US-5786353-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-07-28 US disclosed
US-5760031-A KIDNEY DISEASES AMERICAN CYANAMID COMPANY (US) 1998-06-02 US disclosed
US-5747487-A N-(4-((4,5-DIHYDRO-6H-THIAZOL(5,4-D)(1)BENZAZEPIN-6-YL) -CARBONYL)PHENYL)BENZAMIDES; DISEASES CHARATERIZED BY EXCESS RENAL ABSORPTION OF WATER, E.G. CONGESTIVE HEART DISEASE, HYERTENSION; OXYTOCIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1998-05-05 US disclosed
US-5739128-A ADMINISTERING FOR TREATMENT OF DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-04-14 US disclosed
US-5736538-A TREATS IN MAMMAL THE DISEASE CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER, IS CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, HYPONATREMIA, CORONARY AND RENAL VASOSPASM, CARDIAC ISCHEMIA, LIVER CIRRHOSIS AND BRAIN EDEMA AMERICAN CYANAMID COMPANY (US) 1998-04-07 US disclosed
US-5693635-A TREATMENT OF DISEASES CHARACTERIZED BY EXCESS RENAL ABSORPTION OF WATER; CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME AMERICAN CYANAMID COMPANY (US) 1997-12-02 US disclosed
US-5686445-A Pyridobenzoxazepine and pyridobenzothiazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-11-11 US disclosed
US-5512563-A TREATING DISEASES CAUSED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-04-30 US disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP 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 (2 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-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN GPR119, SLC2A8, SLC2A4 ROCK2 4296/4885ROCK1 4365/4885NAMPT 1500/4885
US-20220324899-A1 COMPOUNDS AND COMPOSITIONS FOR DIFFERENTIAL MODULATION OF NICOTINAMIDE ADENINE DINUCLEOTIDE NQO1, NAMPT, NADK ROCK2 1398/4885ROCK1 1062/4885NAMPT 2/4885

“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.