SCHEMBL134563

SCHEMBL134563

[CH2]c1ccnc(C(C)(C)C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKCI P41743 1/20 0.33
AR P10275 1/20 0.33
DGAT1 O75907 1/20 0.32
KDM5A P29375 2/20 0.32
KDM5B Q9UGL1 2/20 0.32
KDM4E B2RXH2 3/20 0.32
KDM6B O15054 1/20 0.32
TET3 O43151 1/20 0.32
KDM4A O75164 1/20 0.32
BBOX1 O75936 1/20 0.32

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
SCHEMBL134564 0.80 LMNA (0.42) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL12988886 0.79 LMNA (0.38) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL128412 0.78 LMNA (0.39) LMNASMN1; SMN2HTTNPC1RAB9A
Hydrochloric Acid SCHEMBL31292377 0.77 PRKCI (0.38) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL129054 0.77 TGFBR1 (0.35) LMNASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL28177961 0.73 LOXL2 (0.36) AR
SCHEMBL129205 0.73 DGAT1 (0.41) DGAT1
SCHEMBL505194 0.72 L3MBTL1 (0.52) LMNASMN1; SMN2ALDH1A1MAPK1KMT2A
SCHEMBL29099947 0.69 MAP4K4 (0.44) LMNAPRKCIAR
SCHEMBL132320 0.69 LOXL2 (0.52) AR

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 LMNA 1679/4885SMN1; SMN2 4613/4885HTT 3059/4885

“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.