SCHEMBL128073

SCHEMBL128073

CCCOC(=O)c1c[c]sc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
ALDH1A1 P00352 6/20 0.50
ESR1 P03372 5/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
KDR P35968 1/20 0.50
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
STS P08842 1/20 0.42
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
RAB9A P51151 2/20 0.39

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
SCHEMBL128832 0.90 ESR1 (0.53) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL128918 0.86 CA12 (0.47) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL12756270 0.73 LMNA (0.67) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL49950 0.73 ALDH1A1 (0.84) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL28758641 0.71 ALDH1A1 (0.81) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL27647510 0.71 ALDH1A1 (0.81) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL27647501 0.71 ALDH1A1 (0.81) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL27667930 0.71 ALDH1A1 (0.81) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL27667922 0.71 ALDH1A1 (0.81) LMNAALDH1A1ESR1TSHRTDP1
Methane SCHEMBL27699232 0.71 ALDH1A1 (0.81) LMNAALDH1A1ESR1TSHRTDP1

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 LMNA 1679/4885ALDH1A1 580/4885ESR1 2552/4885

“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.