SCHEMBL128179

SCHEMBL128179

COc1ccc(Br)cc1OCCCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
HPGD P15428 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
PPARG P37231 1/20 0.41
GFER P55789 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SLC6A4 P31645 1/20 0.41
CA2 P00918 1/20 0.41
SMPD1 P17405 1/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 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
SCHEMBL2982196 0.93 MAPT (0.46) MAPTL3MBTL1HPGDTDP1KDM4E
SCHEMBL7279143 0.86 L3MBTL1 (0.49) MAPTL3MBTL1HPGDTDP1KDM4E
SCHEMBL2870711 0.84 HPGD (0.50) MAPTL3MBTL1HPGDTDP1KDM4E
SCHEMBL425797 0.84 FBP1 (0.48) MAPTL3MBTL1HPGDTDP1KDM4E
SCHEMBL21823421 0.84 HPGD (0.55) MAPTL3MBTL1HPGDTDP1KDM4E
SCHEMBL688129 0.82 MAPT (0.46) MAPTL3MBTL1HPGDTDP1KDM4E
SCHEMBL21823383 0.82 PDE10A (0.48) MAPTL3MBTL1HPGDTDP1KDM4E
SCHEMBL28613027 0.82 SMPD1 (0.43) MAPTL3MBTL1HPGDTDP1KDM4E
SCHEMBL10080322 0.82 SMN1; SMN2 (0.52) MAPTL3MBTL1HPGDTDP1KDM4E
SCHEMBL31096045 0.82 PDE10A (0.48) MAPTL3MBTL1HPGDTDP1KDM4E

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 MAPT 4877/4885L3MBTL1 2482/4885HPGD 450/4885

“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.