SCHEMBL4998464

SCHEMBL4998464

CCCCCCCCc1ccncc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 2/20 0.51
KDM4C Q9H3R0 2/20 0.51
GABRP O00591 2/20 0.49
GABRD O14764 2/20 0.49
GABRA1 P14867 2/20 0.49
GABRB1 P18505 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
GABRA4 P48169 2/20 0.49
GABRE P78334 2/20 0.49
GABRA6 Q16445 2/20 0.49
GABRG1 Q8N1C3 2/20 0.49
GABRG3 Q99928 2/20 0.49
GABRQ Q9UN88 2/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
KAT8 Q9H7Z6 4/20 0.47

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
SCHEMBL6072747 1.00 KDM6B (0.51) KDM6BKDM4CGABRPGABRDGABRA1
SCHEMBL5002411 1.00 KDM6B (0.51) KDM6BKDM4CGABRPGABRDGABRA1
SCHEMBL5002870 1.00 KDM6B (0.51) KDM6BKDM4CGABRPGABRDGABRA1
SCHEMBL4998341 1.00 KDM6B (0.51) KDM6BKDM4CGABRPGABRDGABRA1
SCHEMBL4005290 0.94 GABRP (0.55) KDM6BKDM4CGABRPGABRDGABRA1
SCHEMBL3122447 0.88 KDM4C (0.55) KDM6BKDM4CGABRPGABRDGABRA1
SCHEMBL258369 0.87 KDM4C (0.51) KDM6BKDM4CGABRPGABRDGABRA1
SCHEMBL9879956 0.86 PTGDR2 (0.45) KDM6BKDM4CPTGDR2KAT8PPARA
SCHEMBL27449213 0.86 KDM4C (0.56) KDM6BKDM4CGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL5739434 0.85 KDM4C (0.50) KDM6BKDM4CGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7425319-B2 Prevent, maintenance of Dna damage; administering compound which forms nicotinamide-adenine dinucleotide UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2008-09-16 US disclosed
EP-1143954-B1 USE OF NICOTINIC ACID DERIVATIVES FOR THE TREATMENT OF DNA DAMAGE IN SKIN CELLS UNIV KENTUCKY RES FOUND (US) 2004-08-11 EP disclosed
US-20040147491-A1 Prevent, maintenance of Dna damage; administering compound which forms nicotinamide-adenine dinucleotide NIADYNE, INC. 2004-07-29 US disclosed
US-6753397-B2 FOR PROTECTIVE COATINGS WHICH DOES NOT CONTAIN HEAVY METAL, FOR PREVENTION OF ADHESION OF CRUSTACEANS TO THE BOTTOMS OF SHIPS NIPPON PAINT CO., LTD. (JP) 2004-06-22 US disclosed
US-6552050-B2 Adjustment of cellular nicotinamide-adenine dinucleotide UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2003-04-22 US disclosed
US-20030065120-A1 Resin composition, production method of boron-containing polymer and antifouling coating NIPPON PAINT CO., LTD. 2003-04-03 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 KDM6B 3227/4885KDM4C 4500/4885GABRP 3389/4885
US-20040147491-A1 Prevent, maintenance of Dna damage; administering compound which forms nicotinamide-adenine dinucleotide NQO1, NNT, NAMPT KDM6B 3566/4885KDM4C 3353/4885GABRP 4421/4885
US-20010033848-A1 Adjustment of cellular nicotinamide-adenine dinucleotide NQO1, NNT, NAMPT KDM6B 3163/4885KDM4C 3290/4885GABRP 3903/4885

“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.