SCHEMBL4470800

SCHEMBL4470800

C=CCNC(=S)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 1.00
KDM4E B2RXH2 4/20 1.00
SMN1; SMN2 Q16637 4/20 0.74
ALDH1A1 P00352 3/20 0.74
RAB9A P51151 1/20 0.74
POLB P06746 1/20 0.62
BRD4 O60885 1/20 0.57
BRD2 P25440 1/20 0.57
BRD3 Q15059 1/20 0.57
BRDT Q58F21 1/20 0.57
CA1 P00915 2/20 0.51
CA9 Q16790 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.50

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
SCHEMBL3192482 0.78 KDM4E (0.84) GAAKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL4470797 0.74 GAA (0.59) GAAKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL1617368 0.71 BRD4 (0.70) GAAKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL13701754 0.70 BRD4 (0.73) GAAKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL13702152 0.70 BRD4 (0.73) GAAKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL6199097 0.70 BRD4 (0.68) GAAKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL3522227 0.69 GAA (0.53) GAAKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL11324370 0.69 BRD4 (0.67) GAAKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL12734333 0.69 BRD4 (0.71) GAAKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL11316074 0.68 BRD4 (0.70) GAAKDM4ESMN1; SMN2ALDH1A1RAB9A

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-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 GAA 2281/4885KDM4E 3869/4885SMN1; SMN2 1433/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 GAA 2368/4885KDM4E 3921/4885SMN1; SMN2 1419/4885

“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.