SCHEMBL129060

SCHEMBL129060

CCCOC(=O)c1n[c]cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ESR1 P03372 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
KDR P35968 1/20 0.41
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
STS P08842 1/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CA12 O43570 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
SCHEMBL9381822 0.89 TSHR (0.47) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL129628 0.86 MAPT (0.41) ALDH1A1LMNATSHRESR1KDM4E
SCHEMBL126729 0.77
SCHEMBL128202 0.72 CA12 (0.38) ALDH1A1LMNAPOLBKDM4EKMT2A
SCHEMBL162542 0.70 ALDH1A1 (0.43) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL129713 0.70 LMNA (0.46) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL128185 0.68 ALDH1A1 (0.44) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL130570 0.68 ALDH1A1 (0.44) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL128184 0.67 ALDH1A1 (0.43) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL11004071 0.66

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 8 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
EP-0402246-B1 Thiazolylalkoxyacrylates, process for their preparation, their use as fungicides and intermediates in their preparation ROUSSEL UCLAF (FR) 1994-08-24 EP disclosed
EP-0556123-A1 Pyrethrinoid esters of thiazolylalcohols, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-08-18 EP disclosed
EP-0402246-A1 Thiazolylalkoxyacrylates, process for their preparation, their use as fungicides and intermediates in their preparation ROUSSEL-UCLAF (FR) 1990-12-12 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.