SCHEMBL128185

SCHEMBL128185

CCCOC(=O)c1ncc(C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.43
ESR1 P03372 1/20 0.42
CHRM1 P11229 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A2 P23975 1/20 0.42
KDR P35968 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 4/20 0.41
GRM6 O15303 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL128677 0.87 CDC7 (0.46) ALDH1A1LMNATSHRMAPTPKM
SCHEMBL128184 0.81 ALDH1A1 (0.43) ALDH1A1LMNAESR1CHRM1TSHR
SCHEMBL129390 0.79 ALDH1A1 (0.41) ALDH1A1LMNAESR1CHRM1TSHR
SCHEMBL130301 0.76 MAPK1 (0.44) ALDH1A1PKML3MBTL1SMN1; SMN2NPC1
SCHEMBL20267928 0.75 HCAR2 (0.53) ALDH1A1LMNAESR1CHRM1TSHR
SCHEMBL129713 0.75 LMNA (0.46) ALDH1A1LMNAESR1CHRM1TSHR
SCHEMBL12350737 0.74 MAPT (0.45) ALDH1A1LMNAESR1CHRM1TSHR
SCHEMBL20267642 0.72 MAPT (0.41) ALDH1A1LMNAESR1CHRM1TSHR
SCHEMBL27915485 0.72 CDC7 (0.43) ALDH1A1LMNAESR1CHRM1TSHR
SCHEMBL28293724 0.72 LMNA (0.50) ALDH1A1LMNAESR1TSHRTDP1

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 4 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
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 1679/4885ESR1 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.