SCHEMBL187572

SCHEMBL187572

COc1ccc([N+](=O)[O-])nc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 4/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
PKM P14618 1/20 0.41
TTR P02766 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
TPMT P51580 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP3A4 P08684 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
SCHEMBL187255 0.87 TDP1 (0.44) ALDH1A1TDP1KDM4EL3MBTL1POLB
SCHEMBL15091095 0.83 MEN1 (0.42) ALDH1A1TDP1KDM4EL3MBTL1POLB
SCHEMBL27971913 0.76 PTGS1 (0.40) ALDH1A1TDP1CA1CA2CYP3A4
SCHEMBL8558796 0.76 KMT2A (0.47) ALDH1A1TDP1KDM4EL3MBTL1POLB
SCHEMBL4158236 0.76 MEN1 (0.47) ALDH1A1TDP1KDM4EL3MBTL1POLB
SCHEMBL2031745 0.75 MEN1 (0.46) ALDH1A1TDP1KDM4EL3MBTL1POLB
SCHEMBL2222736 0.74 KDM4E (0.49) ALDH1A1TDP1KDM4EL3MBTL1PKM
SCHEMBL3780312 0.74 TDP1 (0.53) ALDH1A1TDP1KDM4EL3MBTL1POLB
SCHEMBL3389616 0.74 KDM4E (0.53) ALDH1A1TDP1KDM4EL3MBTL1POLB
SCHEMBL29021856 0.74 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EL3MBTL1POLB

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 ALDH1A1 760/4885TDP1 61/4885KDM4E 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.