SCHEMBL130676

SCHEMBL130676

CCOC(=O)c1ccn(COCc2ccccc2)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PPIA P62937 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9918732 0.83 ALDH1A1 (0.47) TSHRLMNAALDH1A1CRHBPCRHR2
SCHEMBL127772 0.81 TSHR (0.43) TSHRALDH1A1CRHBPCRHR2NPC1
SCHEMBL12832721 0.80 TSHR (0.42) TSHRALDH1A1CRHBPCRHR2NPC1
SCHEMBL24936579 0.79 TSHR (0.37) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL128624 0.78 TSHR (0.46) TSHRLMNAALDH1A1PPIANPC1
SCHEMBL127787 0.78 KMT2A (0.44) LMNAALDH1A1NPC1RAB9AKMT2A
SCHEMBL9918734 0.78 TSHR (0.43) TSHRLMNAALDH1A1CRHBPCRHR2
SCHEMBL9921769 0.76 TSHR (0.38) TSHRLMNAALDH1A1CRHBPCRHR2
SCHEMBL27077666 0.76 ALDH1A1 (0.47) TSHRLMNAALDH1A1KDM4EHSD17B10
SCHEMBL16415457 0.76 TSHR (0.48) TSHRLMNAALDH1A1CRHBPCRHR2

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 TSHR 1420/4885LMNA 1679/4885ALDH1A1 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.