SCHEMBL187255

SCHEMBL187255

COC(=O)c1nc([N+](=O)[O-])ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
POLB P06746 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL187572 0.87 ALDH1A1 (0.48) TDP1POLBKDM4ECTDSP1L3MBTL1
SCHEMBL15091095 0.83 MEN1 (0.42) TDP1POLBKDM4ECTDSP1L3MBTL1
SCHEMBL27972729 0.82 NPSR1 (0.44) POLBKDM4EKMT2AMEN1NPSR1
SCHEMBL11609659 0.76 S1PR4 (0.56) KDM4EL3MBTL1NPSR1ALDH1A1LMNA
SCHEMBL4158236 0.76 MEN1 (0.47) TDP1POLBKDM4ECTDSP1L3MBTL1
SCHEMBL8558796 0.76 KMT2A (0.47) TDP1POLBKDM4ECTDSP1L3MBTL1
SCHEMBL23530046 0.75 NPSR1 (0.47) KDM4EL3MBTL1KMT2AMEN1NPSR1
SCHEMBL2031745 0.75 MEN1 (0.46) TDP1POLBKDM4ECTDSP1L3MBTL1
SCHEMBL3464422 0.75 NPSR1 (0.47) POLBKDM4EL3MBTL1KMT2AMEN1
SCHEMBL29503711 0.75 NPSR1 (0.47) POLBKDM4EL3MBTL1KMT2AMEN1

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
US-8829190-B2 Triazolopyridines as phosphodiesterase inhibitors for treatment of dermal diseases LEO PHARMA A/S (DK) 2014-09-09 US disclosed
EP-2146989-B1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA AS (DK) 2012-01-04 EP disclosed
US-20100113442-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES FELDING JAKOB 2010-05-06 US disclosed
EP-2146989-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES Leo Pharma A/S (DK) 2010-01-27 EP disclosed
WO-2008125111-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2008-10-23 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-20100113442-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES PDE5A, PDE3A, PDE3B TDP1 61/4885POLB 1287/4885KDM4E 1090/4885

“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.