SCHEMBL4142173

SCHEMBL4142173

COC(=O)c1cc(C(C)(C)CN)c[nH]1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
BAZ2B Q9UIF8 1/20 0.49
BAZ2A Q9UIF9 1/20 0.49
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 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
SCHEMBL5430010 0.85 GABRP (0.43) ALDH1A1GAALMNABAZ2BBAZ2A
Hydrochloric Acid SCHEMBL5430002 0.84 GABRP (0.42) ALDH1A1GAALMNABAZ2BBAZ2A
SCHEMBL13834197 0.83 ALDH1A1 (0.54) ALDH1A1GAALMNABAZ2BBAZ2A
SCHEMBL4126615 0.77 ALDH1A1 (0.43) ALDH1A1GAALMNABAZ2BBAZ2A
SCHEMBL12525332 0.77 ALDH1A1 (0.50) ALDH1A1GAALMNABAZ2BBAZ2A
SCHEMBL3113139 0.73 BAZ2B (0.54) ALDH1A1GAALMNABAZ2BBAZ2A
Hydrochloric Acid SCHEMBL5546234 0.72 BAZ2B (0.53) ALDH1A1GAALMNABAZ2BBAZ2A
SCHEMBL1298188 0.71 BAZ2B (0.54) ALDH1A1GAALMNABAZ2BBAZ2A
SCHEMBL13346251 0.71 BAZ2B (0.54) ALDH1A1GAALMNABAZ2BBAZ2A
SCHEMBL14267776 0.71 BAZ2B (0.54) ALDH1A1GAALMNABAZ2BBAZ2A

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-20090137554-A1 1,4,5,6-TETRAHYDRO -PYRROLO[2,3-d]AZEPINES AND -IMIDAZO[4,5-d]AZEPINES AS MODULATORS OF NUCLEAR RECEPTOR ACTIVITY WYETH (US) 2009-05-28 US disclosed
US-20090131409-A1 1,4,5,6,7,8-HEXAHYDRO -PYRROLO[2,3-d]AZEPINES AND -IMIDAZO[4,5-d]AZEPINES AS MODULATORS OF NUCLEAR RECEPTOR ACTIVITY WYETH (US) 2009-05-21 US 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 (2 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-20090137554-A1 1,4,5,6-TETRAHYDRO -PYRROLO[2,3-d]AZEPINES AND -IMIDAZO[4,5-d]AZEPINES AS MODULATORS OF NUCLEAR RECEPTOR ACTIVITY NR5A2, NR1H2, NR2C2 ALDH1A1 3508/4885GAA 4636/4885LMNA 3385/4885
US-20090131409-A1 1,4,5,6,7,8-HEXAHYDRO -PYRROLO[2,3-d]AZEPINES AND -IMIDAZO[4,5-d]AZEPINES AS MODULATORS OF NUCLEAR RECEPTOR ACTIVITY NR1H2, NR1H3, NR5A2 ALDH1A1 3909/4885GAA 4784/4885LMNA 3753/4885

“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.