SCHEMBL252332

SCHEMBL252332

COc1nc2ncccc2cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
DHODH Q02127 1/20 0.45
HSD17B10 Q99714 1/20 0.43
HTT P42858 3/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL253152 0.87 KDM4E (0.48) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL125290 0.80 LMNA (0.51) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL352470 0.78 KDM4E (0.53) ALDH1A1KDM4ELMNATDP1MEN1
SCHEMBL7278161 0.78 KDM4E (0.55) ALDH1A1KDM4ELMNATDP1MEN1
SCHEMBL3715949 0.76 KDM4E (0.56) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL27836545 0.76 LMNA (0.56) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL31423348 0.76 KDM4E (0.56) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL28550680 0.76 KDM4E (0.47) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL252393 0.76 LMNA (0.47) ALDH1A1KDM4ELMNATDP1MEN1
SCHEMBL27838104 0.75 POLB (0.44) ALDH1A1KDM4ELMNAHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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 (1 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 ALDH1A1 468/4885KDM4E 3377/4885LMNA 4429/4885

“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.