SCHEMBL130570

SCHEMBL130570

CCCOC(=O)c1c[c]cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
LMNA P02545 3/20 0.43
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
ESR1 P03372 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 2/20 0.36
STS P08842 1/20 0.36
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL130061 0.90 TSHR (0.47) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL128933 0.86 HDAC3 (0.42) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL8549907 0.72 ALDH1A1 (0.57) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL9495199 0.70 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL128073 0.69 LMNA (0.51) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL28357274 0.69 LMNA (0.51) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL127177 0.69 ALDH1A1 (0.49) ALDH1A1LMNATSHRTDP1ESR1
Hydrochloric Acid SCHEMBL27388065 0.69 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL6629521 0.69 SMN1; SMN2 (0.39) ALDH1A1TDP1ESR1KMT2APOLB
SCHEMBL164003 0.69 ALDH1A1 (0.44) 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.