SCHEMBL132212

SCHEMBL132212

Cc1csc(C(C)(C)C(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.44
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NOS1 P29475 1/20 0.38
PDE4A P27815 1/20 0.36
ADORA1 P30542 1/20 0.36
HTR2B P41595 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
DAO P14920 1/20 0.34
FDPS P14324 1/20 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
SCHEMBL13151611 0.83 SSTR4 (0.43) SSTR4RAB9ANPC1MAPTGAA
SCHEMBL13151418 0.83 SSTR4 (0.43) SSTR4RAB9ANPC1MAPTGAA
SCHEMBL132211 0.79 GABRA5 (0.30)
SCHEMBL3440172 0.79 SSTR4 (0.44) SSTR4RAB9ANPC1MAPTGAA
SCHEMBL13151426 0.79 SSTR4 (0.41) SSTR4RAB9ANPC1MAPTGAA
SCHEMBL634381 0.78 SSTR4 (0.40) SSTR4RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL31294721 0.77 SSTR4 (0.42) SSTR4RAB9ANPC1MAPTGAA
SCHEMBL16366984 0.76 SSTR4 (0.43) SSTR4RAB9ANPC1MAPTGAA
SCHEMBL127885 0.75 SMN1; SMN2 (0.43) SSTR4RAB9ANPC1MAPTGAA
SCHEMBL8687634 0.75 PDE4A (0.44) SSTR4RAB9AMAPTSMN1; SMN2NOS1

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 SSTR4 967/4885RAB9A 2999/4885NPC1 1907/4885

“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.