SCHEMBL11775136

SCHEMBL11775136

O=Nc1cccc2c(N=O)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
ALOX15 P16050 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSP90AA1 P07900 1/20 0.37
CYP1A2 P05177 4/20 0.34
CYP3A4 P08684 3/20 0.34
ABCB11 O95342 1/20 0.34

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
SCHEMBL1275295 0.88 ALDH1A1 (0.47) ALDH1A1MAPTTDP1KDM4ENPC1
SCHEMBL14533084 0.87 ALDH1A1 (0.38) ALDH1A1MAPTTDP1KDM4ENPC1
SCHEMBL2772250 0.85 MAPT (0.47) ALDH1A1MAPTTDP1KDM4ENPC1
SCHEMBL2214991 0.85 ALDH1A1 (0.59) ALDH1A1MAPTTDP1KDM4ENPC1
SCHEMBL2933245 0.84 ALDH1A1 (0.54) ALDH1A1MAPTTDP1KDM4EL3MBTL1
SCHEMBL31126043 0.84 ALDH1A1 (0.54) ALDH1A1MAPTTDP1KDM4EL3MBTL1
SCHEMBL13675024 0.80 NR4A1 (0.53) ALDH1A1MAPTKDM4ERAB9AL3MBTL1
SCHEMBL8229668 0.78 ALDH1A1 (0.41) ALDH1A1MAPTTDP1KDM4ENPC1
SCHEMBL4860242 0.78 PARP1 (0.56) ALDH1A1TDP1KDM4ERAB9AHPGD
SCHEMBL19050286 0.76 HSP90AA1 (0.40) ALDH1A1MAPTTDP1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230111779-A1 METHODS OF MANUFACTURE OF DIANHYDRIDES CHAULAGAIN MANI RAJ (US) 2023-04-13 US disclosed
EP-4143157-A1 METHODS OF MANUFACTURE OF DIANHYDRIDES Chaulagain, Mani (US) 2023-03-08 EP disclosed
WO-2021252169-A1 METHODS OF MANUFACTURE OF DIANHYDRIDES CHAULAGAIN MANI (US) 2021-12-16 WO disclosed
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-7427639-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2008-09-23 US disclosed
US-20070179179-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-08-02 US disclosed
US-20070154948-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-07-05 US disclosed
US-20070134729-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-06-14 US disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 US disclosed
US-3955256-A Process for the production of a carbon tape CELANESE CORPORATION (US) 1976-05-11 US 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 (5 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-20070134729-A1 Novel antibacterial agents ENGASE, PGLS, PEPD ALDH1A1 2244/4885MAPT 3874/4885TDP1 2092/4885
US-20230111779-A1 METHODS OF MANUFACTURE OF DIANHYDRIDES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NISCH, HDHD5 ALDH1A1 2807/4885MAPT 693/4885TDP1 3005/4885
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B ALDH1A1 1061/4885MAPT 1964/4885TDP1 2274/4885
US-20070179179-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ALDH1A1 1061/4885MAPT 1964/4885TDP1 2274/4885
US-20070154948-A1 Novel antibacterial agents ENGASE, PGLS, PEPD ALDH1A1 2244/4885MAPT 3874/4885TDP1 2092/4885

“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.