SCHEMBL4547759

SCHEMBL4547759

CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=S)NC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ MAPT P10636 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ ALOX12 P18054 2/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ ELANE P08246 4/20 0.57
▸ CYP2C9 P11712 3/20 0.57
▸ POLB P06746 1/20 0.54
▸ CACNA1F O60840 5/20 0.51
▸ CACNA1D Q01668 5/20 0.51
▸ CACNA1S Q13698 5/20 0.51
▸ CACNA1C Q13936 5/20 0.51
▸ GAA P10253 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PKM P14618 1/20 0.49

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
SCHEMBL2894531 0.92 MAPT (0.72) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL2892089 0.84 ELANE (0.74) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL13412240 0.82 MAPT (0.82) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL2678247 0.81 ELANE (0.84) ELANECYP2C9CYP3A4
SCHEMBL392493 0.80 MAPT (0.84) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL2679242 0.77 ELANE (0.71) ELANECYP2C9CYP3A4
SCHEMBL13412241 0.76 MAPT (0.69) ALDH1A1MAPTHTTELANECYP2C9
SCHEMBL14899944 0.75 ELANE (0.59) ELANE
SCHEMBL8050837 0.74 ELANE (0.79) ALDH1A1MAPTLMNAELANECYP2C9
SCHEMBL2887923 0.74 ELANE (0.79) ALDH1A1MAPTLMNAELANECYP2C9

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-8173665-B2 I-pheny 1-3,4-dihydropyrimidin-2(1H)-one derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 — — US disclosed
US-20100022537-A1 I-PHENY 1-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2010-01-28 — — US disclosed
US-7566723-B2 1-phenyl1-3,4-dihydropyrimidin-2(1H)-one derivatives and their use BAYER HEALTHCARE AG (DE) 2009-07-28 — — US disclosed
US-7566723-B2 1-phenyl1-3,4-dihydropyrimidin-2(1H)-one derivatives and their use BAYER HEALTHCARE AG (DE) 2009-07-28 — — US disclosed
WO-2004024701-A1 HETEROCYCLIC DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-03-25 — — 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-20100022537-A1 I-PHENY 1-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE DERIVATIVES AND THEIR USE TNNI3, HIF1AN, TNNT2 ALDH1A1 742/4885KMT2A 3620/4885MEN1 3280/4885

“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.

Send feedback