SCHEMBL4470067

SCHEMBL4470067

O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C19 P33261 2/20 0.59
PLA2G1B P04054 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
MLYCD O95822 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
MAPK14 Q16539 1/20 0.53
CHRM3 P20309 2/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 2/20 0.49
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL4482984 0.85 BRD4 (0.60) GAAMEN1KMT2ACYP3A4CYP2C19
SCHEMBL5227678 0.77 MLYCD (0.86) GAAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL10389082 0.76 MEN1 (0.70) GAAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4482464 0.76 SMN1; SMN2 (0.60) GAAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8120402 0.76 GAA (0.65) GAACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10323972 0.75 MEN1 (0.68) GAAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL23447721 0.75 MLYCD (0.77) GAAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6115673 0.75 CYP2C9 (0.59) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4476510 0.74 P2RX7 (0.59) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL6472060 0.74 MEN1 (0.57) GAAMEN1KMT2ACYP1A2CYP3A4

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 2281/4885MEN1 4261/4885KMT2A 4674/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 GAA 2368/4885MEN1 3919/4885KMT2A 4574/4885

“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.