SCHEMBL129713

SCHEMBL129713

CCCOC(=O)c1nc[c]s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ESR1 P03372 4/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
KDR P35968 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
JMJD6 Q6NYC1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
STS P08842 1/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
ELANE P08246 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL27756295 0.90 ESR1 (0.48) LMNAESR1ALDH1A1TSHRTDP1
SCHEMBL128889 0.86 CA12 (0.42) LMNAESR1ALDH1A1TSHRKDM4E
SCHEMBL128185 0.75 ALDH1A1 (0.44) LMNAESR1ALDH1A1TSHRCHRM1
SCHEMBL128073 0.71 LMNA (0.51) LMNAESR1ALDH1A1TSHRCHRM1
SCHEMBL129060 0.70 ALDH1A1 (0.43) LMNAESR1ALDH1A1TSHRCHRM1
SCHEMBL128184 0.70 ALDH1A1 (0.43) LMNAESR1ALDH1A1TSHRCHRM1
SCHEMBL127177 0.68 ALDH1A1 (0.49) LMNAESR1ALDH1A1TSHRCHRM1
SCHEMBL129390 0.68 ALDH1A1 (0.41) LMNAESR1ALDH1A1TSHRCHRM1
SCHEMBL12756270 0.68 LMNA (0.67) LMNAESR1ALDH1A1TSHRCHRM1
SCHEMBL49950 0.68 ALDH1A1 (0.84) LMNAESR1ALDH1A1TSHRCHRM1

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 1679/4885ESR1 2552/4885ALDH1A1 580/4885

“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.