SCHEMBL4043097

SCHEMBL4043097

CCOC(=O)c1cc(CC(C)C)c(Cl)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
THRB P10828 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CASP1 P29466 1/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 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
SCHEMBL20302484 0.79 CYP1A2 (0.47) ALDH1A1CASP1MAPTNPSR1CYP1A2
SCHEMBL13912896 0.77 ALDH1A1 (0.39) ALDH1A1POLBMAPK1SMN1; SMN2TP53
SCHEMBL13912895 0.77 ALDH1A1 (0.39) ALDH1A1POLBMAPK1SMN1; SMN2TP53
SCHEMBL4041010 0.75 ALDH1A1 (0.45) ALDH1A1POLBMAPK1SMN1; SMN2TP53
SCHEMBL13912894 0.75 KMT2A (0.40) ALDH1A1POLBMAPK1SMN1; SMN2TP53
SCHEMBL4112444 0.75 ALDH1A1 (0.38) ALDH1A1POLBMAPK1SMN1; SMN2TP53
SCHEMBL4119187 0.75 ALDH1A1 (0.38) ALDH1A1POLBMAPK1SMN1; SMN2TP53
SCHEMBL4121707 0.74 ALDH1A1 (0.37) ALDH1A1POLBMAPK1SMN1; SMN2TP53
SCHEMBL4102069 0.74 KMT2A (0.39) ALDH1A1POLBMAPK1SMN1; SMN2TP53
SCHEMBL1179166 0.74 CYP1A2 (0.54) ALDH1A1POLBMAPK1SMN1; SMN2GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069334-A1 Pyridazine based alpha-helix mimetics THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 US disclosed
US-20090069334-A1 Pyridazine based alpha-helix mimetics THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 US disclosed
WO-2009025751-A1 PYRIDAZINE BASED ALPHA-HELIX MIMETICS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-02-26 WO 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-20090069334-A1 Pyridazine based alpha-helix mimetics H1-4, H1-5, H1-0 ALDH1A1 3022/4885POLB 631/4885MAPK1 2985/4885

“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.