SCHEMBL1675460

SCHEMBL1675460

CC1(C)OB(c2ccc([N+](=O)[O-])cc2NC(=O)O)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 7/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.41
MEN1 O00255 4/20 0.40
POLB P06746 4/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL1675461 1.00 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL1057963 0.83 HTT (0.43) ALDH1A1HTTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL2292922 0.82 HIF1A (0.41) ALDH1A1HTTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL1061781 0.80 POLB (0.40) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL1703728 0.79 NPC1 (0.40) ALDH1A1LMNAMAPT
SCHEMBL527946 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL29687732 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL7249379 0.78 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2LMNAHPGD
SCHEMBL18797570 0.78 KMT2A (0.46) ALDH1A1HTTSMN1; SMN2KMT2ALMNA
SCHEMBL18797572 0.78 KMT2A (0.46) ALDH1A1HTTSMN1; SMN2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-11-22 US disclosed
US-8466167-B2 Compounds and compositions as TLR activity modulators IRM LLC (BM) 2013-06-18 US disclosed
EP-2512478-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF Novartis AG (CH) 2012-10-24 EP disclosed
EP-2440245-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES Novartis AG (CH) 2012-04-18 EP disclosed
WO-2011084549-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-07-14 WO disclosed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 US disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 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-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 ALDH1A1 4772/4885HTT 4336/4885SMN1; SMN2 2477/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 ALDH1A1 4543/4885HTT 1445/4885SMN1; SMN2 1014/4885

“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.