SCHEMBL125657

SCHEMBL125657

CCCOC(=O)c1[c]cccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.45
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ESR1 P03372 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 1/20 0.40
JMJD6 Q6NYC1 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL131331 0.91 TSHR (0.49) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL130016 0.87 CYP1A2 (0.43) ALDH1A1LMNATSHRSMN1; SMN2GABRP
SCHEMBL6202702 0.83 CHRM1 (0.44) ALDH1A1LMNACHRM1MAPTSMN1; SMN2
SCHEMBL128093 0.78 L3MBTL1 (0.41) ALDH1A1TSHRTDP1L3MBTL1MAPT
SCHEMBL719806 0.75 ALDH1A1 (0.55) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL8860798 0.75 ALDH1A1 (0.43) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL27756208 0.74 MAPT (0.40) ALDH1A1LMNATSHRL3MBTL1MAPT
SCHEMBL128537 0.73 CA12 (0.41) ALDH1A1LMNAJMJD6L3MBTL1MAPT
SCHEMBL497105 0.71
SCHEMBL1268913 0.70 APP (0.59) ALDH1A1LMNAL3MBTL1MAPTSMN1; SMN2

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-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 ALDH1A1 580/4885LMNA 1679/4885TSHR 1420/4885

“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.