SCHEMBL2871307

SCHEMBL2871307

Nc1c2c(=O)[nH]c3cc([N+](=O)[O-])ccc3c2nn1-c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
PARP1 P09874 1/20 0.43
TDP2 O95551 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GPR35 Q9HC97 1/20 0.39
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
MPI P34949 1/20 0.38
APOBEC3G Q9HC16 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
SCHEMBL2856015 0.89 PTGS2 (0.57) PTGS2PARP1TDP2NPC1RAB9A
SCHEMBL2864921 0.87 PTGS2 (0.48) PTGS2PARP1NPC1RAB9ASMN1; SMN2
SCHEMBL2870429 0.84 PTGS2 (0.51) PTGS2PARP1NPC1RAB9ASMN1; SMN2
SCHEMBL2878474 0.83 TDP2 (0.49) TDP2NPC1RAB9AMEN1KMT2A
SCHEMBL13066570 0.83 TDP2 (0.42) TDP2NPC1RAB9AALDH1A1
SCHEMBL2868597 0.80 TDP2 (0.56) PTGS2TDP2NPC1RAB9ASMN1; SMN2
SCHEMBL2862177 0.78 ADORA3 (0.44) TDP2RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14375315 0.74 PARP1 (0.38) PARP1TDP2ALDH1A1MEN1KMT2A
SCHEMBL2872630 0.73 HTR7 (0.42) PARP1TDP2SMN1; SMN2ALDH1A1MAPT
SCHEMBL14375313 0.73 XDH (0.43) PARP1TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
EP-1719771-A1 PYRAZOLOQUINOLONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-11-08 EP 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-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof MAP3K20, MAP4K5, MAP4K3 PTGS2 866/4885PARP1 2258/4885TDP2 3548/4885

“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.