SCHEMBL131996

SCHEMBL131996

CC(C)Oc1cc(Br)ccc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43
SLC6A4 P31645 5/20 0.38
HRH4 Q9H3N8 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
HTR6 P50406 2/20 0.37
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
AR P10275 1/20 0.35
PDE4A P27815 3/20 0.35
CSNK2A1 P68400 1/20 0.34
PDE4B Q07343 2/20 0.34

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
SCHEMBL682486 0.90 MAPK1 (0.43) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL30697962 0.83 PDE4B (0.46) LMNAHTTSMN1; SMN2SLC6A4MAPK1
SCHEMBL873386 0.83 PDE4A (0.46) LMNAMAPTHTTSMN1; SMN2MAPK1
SCHEMBL2410034 0.83 PDE4B (0.46) LMNAHTTSMN1; SMN2SLC6A4MAPK1
SCHEMBL131870 0.81 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL7247162 0.81 GAA (0.45) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL15521568 0.79 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL21709998 0.79 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL3132506 0.79 TSHR (0.50) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL3007597 0.79 SLC6A4 (0.44) ALDH1A1LMNAMAPTHTTSMN1; SMN2

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 1679/4885MAPT 4877/4885

“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.