SCHEMBL127691

SCHEMBL127691

CCOC(=O)c1cc(Br)n(COCc2ccccc2)c1COC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 6/20 0.42
POLB P06746 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL28778934 0.87 ALDH1A1 (0.43) KDM4EMAPTGAAPKMALDH1A1
SCHEMBL128624 0.82 TSHR (0.46) TSHRKDM4EHSD17B10MAPTLMNA
SCHEMBL129089 0.80 HSD17B10 (0.36) TSHRKDM4EHSD17B10MAPTGAA
SCHEMBL127772 0.78 TSHR (0.43) TSHRKDM4EHSD17B10MAPTALDH1A1
SCHEMBL2885781 0.70 ALDH1A1 (0.52) TSHRKDM4EHSD17B10MAPTLMNA
SCHEMBL9918732 0.68 ALDH1A1 (0.47) TSHRKDM4EHSD17B10MAPTLMNA
SCHEMBL15997500 0.68 TSHR (0.56) TSHRKDM4EHSD17B10MAPTLMNA
SCHEMBL660947 0.68 TSHR (0.75) TSHRHSD17B10MAPTLMNAALDH1A1
SCHEMBL375551 0.68 ALDH1A1 (0.59) TSHRKDM4EMAPTLMNAGAA
SCHEMBL21408306 0.67 KDM4E (0.43) TSHRKDM4EHSD17B10MAPTGAA

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 1420/4885KDM4E 1902/4885HSD17B10 76/4885

“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.