SCHEMBL219457

SCHEMBL219457

Nc1ncccc1C(=O)O.Nc1ncccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 1.00
KDM4E B2RXH2 3/20 0.63
TDP1 Q9NUW8 1/20 0.63
ALDH1A1 P00352 5/20 0.61
ALOX15 P16050 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
TSHR P16473 1/20 0.61
BLM P54132 1/20 0.61
AGER Q15109 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
PRKCI P41743 2/20 0.61
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
DHODH Q02127 2/20 0.50
MYC P01106 1/20 0.49
ALOX12 P18054 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM6B O15054 1/20 0.46

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
SCHEMBL29530139 1.00 NAPRT (1.00) NAPRTKDM4ETDP1ALDH1A1ALOX15
SCHEMBL181403 1.00 NAPRT (1.00) NAPRTKDM4ETDP1ALDH1A1ALOX15
SCHEMBL30792465 1.00 NAPRT (1.00) NAPRTKDM4ETDP1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL28305203 0.98 NAPRT (0.96) NAPRTKDM4ETDP1ALDH1A1ALOX15
SCHEMBL27926024 0.98 NAPRT (0.96) NAPRTKDM4ETDP1ALDH1A1ALOX15
SCHEMBL27881680 0.98 NAPRT (0.96) NAPRTKDM4ETDP1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL29398658 0.98 NAPRT (0.96) NAPRTKDM4ETDP1ALDH1A1ALOX15
Carbamic Acid SCHEMBL27881895 0.98 NAPRT (0.96) NAPRTKDM4ETDP1ALDH1A1ALOX15
Nitrous Acid SCHEMBL27649581 0.92 NAPRT (0.85) NAPRTKDM4ETDP1ALDH1A1ALOX15
Quinolinic Acid SCHEMBL28273991 0.91 NAPRT (0.82) NAPRTKDM4ETDP1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3158053-A1 ACCELERATION OF MYCOBACTERIUM GROWTH St. George's Hospital Medical School (GB) 2017-04-26 EP disclosed
WO-2015193688-A1 ACCELERATION OF MYCOBACTERIUM GROWTH ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2015-12-23 WO disclosed
US-8163908-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-8093401-B2 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-8088928-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
EP-2388263-A1 Imidazo[2,1-b]thiazole derivatives as sirtuin modulators Sirtris Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8044198-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-20110236429-A1 Small Cationic Antimicrobial Peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-09-29 US disclosed
US-20110150917-A1 Small Cationic Antimicrobial Peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-06-23 US disclosed
US-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2008151434-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-12-18 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 (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-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 NAPRT 252/4885KDM4E 1599/4885TDP1 1028/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 NAPRT 252/4885KDM4E 1599/4885TDP1 1028/4885

“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.