SCHEMBL4884574

SCHEMBL4884574

COc1cc(C(C)C)c[c]n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL9481270 0.72
SCHEMBL8655905 0.72 ALDH1A1 (0.38) ALDH1A1
SCHEMBL13085699 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HDAC4HDAC8
SCHEMBL3292833 0.68
SCHEMBL8565629 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17268490 0.67 GABRG2 (0.40) ALDH1A1SMN1; SMN2HDAC4HDAC8
SCHEMBL9480201 0.67 RECQL (0.36)
SCHEMBL8563824 0.67 MAPT (0.33) SMN1; SMN2
SCHEMBL21646563 0.65 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2HDAC4HDAC8
SCHEMBL84460 0.65 LOX (0.48) ALDH1A1SMN1; SMN2HDAC4HDAC8

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-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 US disclosed
EP-1392302-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2004-03-03 EP disclosed
US-20030152520-A1 5-Substituted-2-arylpyridines NEUROGEN CORPORATION 2003-08-14 US disclosed
WO-2002096421-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2002-12-05 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 (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-20030152520-A1 5-Substituted-2-arylpyridines HTR5A, CRHR2, HTR2C ALDH1A1 2270/4885SMN1; SMN2 699/4885HDAC4 1584/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C ALDH1A1 2866/4885SMN1; SMN2 1354/4885HDAC4 3071/4885

“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.