SCHEMBL4005290

SCHEMBL4005290

CCCCc1ccncc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.55
GABRD O14764 3/20 0.55
GABRA1 P14867 3/20 0.55
GABRB1 P18505 3/20 0.55
GABRG2 P18507 3/20 0.55
GABRB3 P28472 3/20 0.55
GABRA5 P31644 3/20 0.55
GABRA3 P34903 3/20 0.55
GABRA2 P47869 3/20 0.55
GABRB2 P47870 3/20 0.55
GABRA4 P48169 3/20 0.55
GABRE P78334 3/20 0.55
GABRA6 Q16445 3/20 0.55
GABRG1 Q8N1C3 3/20 0.55
GABRG3 Q99928 3/20 0.55
GABRQ Q9UN88 3/20 0.55
KDM4C Q9H3R0 10/20 0.54
KDM6B O15054 8/20 0.54
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44

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
SCHEMBL4998464 0.94 KDM6B (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5002870 0.94 KDM6B (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5002411 0.94 KDM6B (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6072747 0.94 KDM6B (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4998341 0.94 KDM6B (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL258369 0.90 KDM4C (0.51) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL5739434 0.88 KDM4C (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18599002 0.87 KDM6B (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11683254 0.87 KDM4C (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL258259 0.85 KDM4C (0.47) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108546225-B Process for producing nitrile and corresponding amine 中国石化扬子石油化工有限公司 2022-07-15 CN claimed
EP-1633334-B1 TOPICAL ADMINISTRATION OF VASOACTIVE VITAMIN B3 COMPOUNDS FOR PROMOTING SLEEP PROCTER & GAMBLE (US) 2006-11-15 EP claimed
US-20040147491-A1 Prevent, maintenance of Dna damage; administering compound which forms nicotinamide-adenine dinucleotide NIADYNE, INC. 2004-07-29 US claimed
US-20010033848-A1 Adjustment of cellular nicotinamide-adenine dinucleotide NIADYNE, INC. 2001-10-25 US claimed
EP-1143954-A2 USE OF NICOTONIC ACID DERIVATIVES FOR THE TREATMENT OF DNA DAMAGE IN SKIN CELLS University of Kentucky Research Foundation (US) 2001-10-17 EP claimed
WO-2000032179-A2 USE OF NICOTONIC ACID DERIVATIVES FOR THE TREATMENT OF DNA DAMAGE IN SKIN CELLS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2000-06-08 WO claimed
CN-108546225-B Process for producing nitrile and corresponding amine 中国石化扬子石油化工有限公司 2022-07-15 CN disclosed
EP-3204382-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-08-16 EP disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 WO disclosed
EP-2931721-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2015-10-21 EP disclosed
CN-104662024-A Tyrosine Kinase Inhibitors HOFFMANN LA ROCHE 2015-05-27 CN disclosed
WO-2014090715-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-06-19 WO disclosed
CN-102417508-A Fused aryl and heteroaryl derivatives as modulators of metabolism and the prevention and treatment of disorders related thereto ARENA PHARM INC 2012-04-18 CN disclosed
US-6552050-B2 Adjustment of cellular nicotinamide-adenine dinucleotide UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2003-04-22 US disclosed
US-20020123517-A1 Reducing cell necrosis or apoptosis by administering a pro-NAD compound such as nicotinic acid or nicotinamide; nicotinamide adenine dinucleotide (NAD); manipulating poly(ADP-ribose) polymerase pathways JACOBSON ELAINE L (US) 2002-09-05 US disclosed
US-6403619-B1 TOPICALLY ADMINISTERING PRO-NAD COMPOUND (ESTERS OF NICOTINIC ACID) UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2002-06-11 US disclosed
US-6337065-B1 FOR THERAPY OF DISORDERS SUCH AS SUNBURN AND OTHER SKIN DETERIORATION THAT RESULTS FROM DNA DAMAGE IN SKIN CELLS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2002-01-08 US disclosed
US-20010033848-A1 Adjustment of cellular nicotinamide-adenine dinucleotide NIADYNE, INC. 2001-10-25 US disclosed
EP-1143954-A2 USE OF NICOTONIC ACID DERIVATIVES FOR THE TREATMENT OF DNA DAMAGE IN SKIN CELLS University of Kentucky Research Foundation (US) 2001-10-17 EP disclosed
WO-2000032179-A2 USE OF NICOTONIC ACID DERIVATIVES FOR THE TREATMENT OF DNA DAMAGE IN SKIN CELLS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2000-06-08 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-20020123517-A1 Reducing cell necrosis or apoptosis by administering a pro-NAD compound such as nicotinic acid or nicotinamide; nicotinamide adenine dinucleotide (NAD); manipulating poly(ADP-ribose) polymerase pathways NAMPT, NADK, NAPRT GABRP 3389/4885GABRD 4104/4885GABRA1 4310/4885
US-20040147491-A1 Prevent, maintenance of Dna damage; administering compound which forms nicotinamide-adenine dinucleotide NQO1, NNT, NAMPT GABRP 4421/4885GABRD 4578/4885GABRA1 4746/4885
US-20010033848-A1 Adjustment of cellular nicotinamide-adenine dinucleotide NQO1, NNT, NAMPT GABRP 3903/4885GABRD 4457/4885GABRA1 4670/4885

“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.