SCHEMBL4046561

SCHEMBL4046561

CCOC(=O)c1cc(CC(C)C)c(-c2cc(Cc3ccccc3)n[nH]2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HPGDS O60760 1/20 0.38
POLB P06746 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 2/20 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

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
SCHEMBL4102069 0.89 KMT2A (0.39) SMN1; SMN2KMT2AALDH1A1LMNAHPGDS
SCHEMBL13912894 0.83 KMT2A (0.40) SMN1; SMN2KMT2AALDH1A1LMNAHPGDS
SCHEMBL13902664 0.73 CA1 (0.44)
SCHEMBL16112173 0.72 HPGDS (0.59) SMN1; SMN2KMT2AALDH1A1LMNAHPGDS
SCHEMBL4121707 0.70 ALDH1A1 (0.37) SMN1; SMN2KMT2AALDH1A1LMNAPOLB
SCHEMBL4043097 0.69 ALDH1A1 (0.44) SMN1; SMN2KMT2AALDH1A1LMNAPOLB
SCHEMBL12703567 0.68 HCAR2 (0.67) SMN1; SMN2KMT2APOLBTP53THRB
SCHEMBL28784634 0.67 LMNA (0.50) SMN1; SMN2KMT2AALDH1A1LMNAHPGDS
SCHEMBL8284647 0.66 POLB (0.53) SMN1; SMN2KMT2AALDH1A1LMNAHPGDS
SCHEMBL69842 0.65 KMT2A (0.64) SMN1; SMN2KMT2AALDH1A1LMNAHPGDS

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 2 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
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 SMN1; SMN2 4121/4885KMT2A 2822/4885ALDH1A1 3022/4885

“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.