SCHEMBL2407166

SCHEMBL2407166

CC(C(=O)Cl)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
LMNA P02545 2/20 0.50
ACP3 P15309 1/20 0.50
HTT P42858 2/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
TP53 P04637 1/20 0.47
ACHE P22303 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL27474822 0.87 L3MBTL1 (0.55) ALDH1A1TSHRL3MBTL1MEN1HPGD
SCHEMBL3992888 0.85 AKR1C3 (0.67) ALDH1A1TSHRL3MBTL1MEN1HPGD
SCHEMBL307016 0.85 AKR1C3 (0.67) ALDH1A1TSHRL3MBTL1MEN1HPGD
SCHEMBL8582041 0.85 AKR1C3 (0.67) ALDH1A1TSHRL3MBTL1MEN1HPGD
SCHEMBL10763187 0.84 TSHR (0.54) ALDH1A1TSHRL3MBTL1MEN1HPGD
SCHEMBL7733013 0.84 ACP3 (0.54) ALDH1A1TSHRL3MBTL1MEN1HPGD
SCHEMBL30428765 0.84 TSHR (0.54) ALDH1A1TSHRL3MBTL1MEN1HPGD
Hydrochloric Acid SCHEMBL27290579 0.83 L3MBTL1 (0.55) ALDH1A1TSHRL3MBTL1MEN1HPGD
SCHEMBL7126589 0.82 ALDH1A1 (0.56) ALDH1A1TSHRL3MBTL1MEN1HPGD
Hydrochloric Acid SCHEMBL10759838 0.81 L3MBTL1 (0.53) ALDH1A1TSHRL3MBTL1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559716-B1 PYRAZOLONAPHTHYRIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2011-09-14 EP disclosed
US-20100093782-A1 Pyrazolonaphthyridine derivatives KANAZAWA HASHIME 2010-04-15 US disclosed
CN-100572381-C Pyrazolonaphthyridine derivative ASKA PHARM CO LTD (JP) 2009-12-23 CN disclosed
US-7608716-B2 Pyrazolonaphthyridine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-27 US disclosed
EP-1848691-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE Alembic Limited (IN) 2007-10-31 EP disclosed
WO-2006123356-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LIMITED (IN) 2006-11-23 WO disclosed
US-20060040972-A1 Pyrazolonaphthyridine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-23 US disclosed
EP-1559716-A1 PYRAZOLONAPHTHYRIDINE DERIVATIVE Grelan Pharmaceutical Co., Ltd. (JP) 2005-08-03 EP disclosed
US-6476266-B1 Diamino compound and production process for the same CHISSO CORPORATION (JP) 2002-11-05 US 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 (2 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-20060040972-A1 Pyrazolonaphthyridine derivative PDE3B, PDE3A, PDE4A ALDH1A1 909/4885TSHR 1576/4885L3MBTL1 3564/4885
US-20100093782-A1 Pyrazolonaphthyridine derivatives PDE3B, PDE3A, PDE4A ALDH1A1 997/4885TSHR 1639/4885L3MBTL1 3594/4885

“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.