SCHEMBL128412

SCHEMBL128412

[CH2]Cc1ccnc(C(C)(C)C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.37
NR3C2 P08235 3/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36

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
SCHEMBL127774 0.80 LOXL2 (0.41) LMNASMN1; SMN2HTTALDH1A1LOXL2
SCHEMBL134563 0.78 LMNA (0.38) LMNASMN1; SMN2HTTALDH1A1GABRP
SCHEMBL134564 0.76 LMNA (0.42) LMNASMN1; SMN2HTTALDH1A1NPC1
SCHEMBL131690 0.75 PPARD (0.36) LMNASMN1; SMN2ALDH1A1GABRPGABRD
SCHEMBL12988886 0.75 LMNA (0.38) LMNASMN1; SMN2HTTALDH1A1NPC1
Hydrochloric Acid SCHEMBL31292377 0.73 PRKCI (0.38) LMNASMN1; SMN2HTTALDH1A1GABRP
SCHEMBL131880 0.72 LOXL2 (0.67) LOXL2LOXAR
SCHEMBL130291 0.70 KDM4E (0.55) LMNASMN1; SMN2ALDH1A1LOXL2NR3C2
SCHEMBL129671 0.70 CYP2C19 (0.50) MEN1KMT2A
SCHEMBL130174 0.70 LOXL2 (0.46) LOXL2NR3C2LOX

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.