SCHEMBL1668008

SCHEMBL1668008

CC(C)NC(=O)CNC(=O)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PSMB11 A5LHX3 1/20 0.50
PSMA7 O14818 1/20 0.50
PSMB1 P20618 1/20 0.50
PSMA1 P25786 1/20 0.50
PSMA2 P25787 1/20 0.50
PSMA3 P25788 1/20 0.50
PSMA4 P25789 1/20 0.50
PSMB8 P28062 1/20 0.50
PSMB9 P28065 1/20 0.50
PSMA5 P28066 1/20 0.50
PSMB4 P28070 1/20 0.50
PSMB6 P28072 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB10 P40306 1/20 0.50
PSMB3 P49720 1/20 0.50
PSMB2 P49721 1/20 0.50
PSMA6 P60900 1/20 0.50
PSMA8 Q8TAA3 1/20 0.50

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
SCHEMBL1668445 0.86 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2458822 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2PSMB11PSMA7PSMB1
SCHEMBL1668382 0.82 POLB (0.61) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL15631010 0.82 TDP1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL11905347 0.82 TDP1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL6888042 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL12062395 0.80 PSMB11 (0.54) ALDH1A1PSMB11PSMA7PSMB1PSMA1
SCHEMBL1668369 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2465103 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1PKM
SCHEMBL6890803 0.77 SIRT6 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
EP-2488520-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MSD Oss B.V. (NL) 2012-08-22 EP disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed
US-20080214553-A1 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists MERCK SHARP & DOHME B.V. (NL) 2008-09-04 US disclosed
US-20080214553-A1 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists MERCK SHARP & DOHME B.V. (NL) 2008-09-04 US disclosed
US-20080214553-A1 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists MERCK SHARP & DOHME B.V. (NL) 2008-09-04 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 US disclosed
WO-2008033764-A2 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-03-20 WO disclosed
WO-2008033764-A2 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-03-20 WO disclosed
EP-1861380-A1 2-(4-OXO-4H-QUINAZOLIN-3-YL)ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS N.V. Organon (NL) 2007-12-05 EP disclosed
WO-2006095014-A1 2- (4-0X0-4H-QUINAZ0LIN-3-YL) ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS N.V. ORGANON (NL) 2006-09-14 WO disclosed
WO-2006095014-A1 2- (4-0X0-4H-QUINAZ0LIN-3-YL) ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS N.V. ORGANON (NL) 2006-09-14 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-20080214553-A1 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists AVPR2, AVPR1A, AVPR1B ALDH1A1 1928/4885SMN1; SMN2 4810/4885PSMB11 3118/4885
US-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 ALDH1A1 732/4885SMN1; SMN2 1592/4885PSMB11 2851/4885
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES NQO2, GATD3, SDHA ALDH1A1 83/4885SMN1; SMN2 3447/4885PSMB11 4704/4885

“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.