SCHEMBL2867410

SCHEMBL2867410

COc1cccc(-n2cc(C(=O)O)c(-c3ccccc3[N+](=O)[O-])n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
L3MBTL1 Q9Y468 3/20 0.55
ATM Q13315 2/20 0.55
EIF4E P06730 2/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CASP6 P55212 1/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48

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
SCHEMBL2867111 0.82 KMT2A (0.53) LMNAL3MBTL1ATMALDH1A1HPGD
SCHEMBL4771997 0.78 LMNA (1.00) LMNAL3MBTL1ATMALDH1A1HPGD
SCHEMBL12800771 0.74 SMN1; SMN2 (0.62) LMNAL3MBTL1ALDH1A1HPGDABCG2
SCHEMBL12800113 0.73 SMN1; SMN2 (0.51) LMNAALDH1A1ABCG2NPC1RAB9A
SCHEMBL2856161 0.73 EIF4E (0.45) LMNAL3MBTL1ATMEIF4EALDH1A1
SCHEMBL6681990 0.71 L3MBTL1 (1.00) LMNAL3MBTL1ATMALDH1A1HPGD
SCHEMBL22095646 0.70 AURKA (0.81) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL30785680 0.69 NPC1 (0.70) LMNAEIF4EALDH1A1HPGDNPC1
SCHEMBL2957169 0.69 NPC1 (0.70) LMNAEIF4EALDH1A1HPGDNPC1
SCHEMBL28347241 0.68 LMNA (0.73) LMNAL3MBTL1ATMALDH1A1HPGD

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 7 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-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 LMNA 4123/4885L3MBTL1 3503/4885ATM 1357/4885

“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.