SCHEMBL3756334

SCHEMBL3756334

CC(C)CCn1c(=O)c(C(=O)O)c(O)c2cccn21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.35
GRM2 Q14416 1/20 0.35
FEN1 P39748 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 1/20 0.33
EGFR P00533 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL13082369 0.77 KDM4E (0.70) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL1976397 0.71 POLB (0.47) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL3756464 0.70 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2MAPTGRM2
SCHEMBL1969780 0.69 POLB (0.51) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL6514641 0.69 MEN1 (0.43) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL1972746 0.68 MEN1 (0.47) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL1967350 0.66 KDM4E (0.54) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL1987167 0.65 EGLN1 (0.42) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL25427616 0.65 HTT (0.39) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL13619715 0.65 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038286-B1 PYRRO[1,2-B]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
CN-102584649-A Pyrro[1,2-b]pyridazinone compounds ANADYS PHARMACEUTICALS INC 2012-07-18 CN disclosed
CN-101501039-B Pyrrolo [1,2-b ] pyridazinone compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-02-22 CN disclosed
US-7842838-B2 Pyrro[1,2-b]pyridazinone intermediates ANADYS PHARMACEUTICALS, INC. (US) 2010-11-30 US disclosed
US-20090312570-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC (US) 2009-12-17 US disclosed
US-7582754-B2 For treating hepatitis C virus infections; polymerase inhibitors ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
CN-101501039-A Pyrrolo [1, 2-b ] pyridazinone compounds ANADYS PHARMACEUTICALS INC (US) 2009-08-05 CN disclosed
US-20090105473-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7462611-B2 inhibitor of HCV NS5B polymerase; to treat infections caused by hepatitis C virus; 3-(1,1-Dioxo-1,4-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-4-hydroxy-1-(3-methyl-butyl)-pyrrolo[1,2-b]pyridazin-2-one ANADYS PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-20080031852-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-02-07 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 (3 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-20090312570-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 ALDH1A1 648/4885MEN1 2777/4885KMT2A 4499/4885
US-20080031852-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 ALDH1A1 648/4885MEN1 2777/4885KMT2A 4499/4885
US-20090105473-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 ALDH1A1 648/4885MEN1 2777/4885KMT2A 4499/4885

“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.