SCHEMBL127177

SCHEMBL127177

CCCOC(=O)c1cc[c]s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
LMNA P02545 4/20 0.47
TSHR P16473 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
ESR1 P03372 2/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
KDR P35968 1/20 0.46
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
STS P08842 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
GRM6 O15303 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37

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
SCHEMBL128695 0.90 TSHR (0.51) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL127564 0.86 HDAC3 (0.46) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL8549907 0.76 ALDH1A1 (0.57) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL10471051 0.73 ALDH1A1 (0.47) ALDH1A1LMNATSHRTDP1KDM4E
SCHEMBL4196673 0.72
SCHEMBL9495199 0.70 ALDH1A1 (0.61) ALDH1A1LMNAPOLBL3MBTL1HPGD
SCHEMBL8549910 0.70 LMNA (0.53) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL132053 0.69 LMNA (0.67) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL130570 0.69 ALDH1A1 (0.44) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL6613278 0.69 POLB (0.42) ALDH1A1LMNATSHRTDP1ESR1

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.