SCHEMBL3522227

SCHEMBL3522227

C=CCNC(=S)NNC(=O)N1C=CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.53
KDM4E B2RXH2 5/20 0.53
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.45
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3522224 0.76 ALDH1A1 (0.34) GAAKDM4EPOLBALDH1A1KMT2A
SCHEMBL3192482 0.69 KDM4E (0.84) GAAKDM4EPOLBALDH1A1CA1
SCHEMBL4470800 0.69 GAA (1.00) GAAKDM4EPOLBALDH1A1CA1
SCHEMBL3523595 0.68 ALDH1A1 (0.42) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3522165 0.68 ALDH1A1 (0.48) GAAKDM4EPOLBALDH1A1MEN1
SCHEMBL6631803 0.60 KCNH2 (0.58) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23375458 0.59 ALDH1A1 (0.78) GAAKDM4EPOLBALDH1A1CA1
SCHEMBL4903379 0.59 POLB (0.75) GAAKDM4EPOLBALDH1A1CA1
SCHEMBL1647857 0.59 ALDH1A1 (0.69) GAAKDM4EPOLBALDH1A1MEN1
SCHEMBL11406971 0.59 KMT2A (0.53) GAAKDM4EPOLBALDH1A1CA1

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-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 GAA 1386/4885KDM4E 3806/4885POLB 1067/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 GAA 1288/4885KDM4E 3935/4885POLB 726/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 GAA 1386/4885KDM4E 3806/4885POLB 1067/4885

“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.