SCHEMBL13428541

SCHEMBL13428541

CC(C)(CNc1ncc(/C=C/C(=O)NOC2CCCCO2)cc1Cl)NC(=O)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 2/20 0.35
P2RX3 P56373 1/20 0.35
TGFBR1 P36897 1/20 0.34
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
NTRK1 P04629 3/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
GCK P35557 2/20 0.33
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
MAPT P10636 2/20 0.31
PLK1 P53350 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 2/20 0.31
MAOA P21397 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
SCHEMBL13428514 0.83 KMT2A (0.37) TGFBR1CCNA2CDK2CCNA1CDK5
SCHEMBL3223938 0.82 NPC1 (0.39) P2RX3TGFBR1GSTP1GSTM2CCNA2
SCHEMBL3223927 0.82 NPC1 (0.39) P2RX3TGFBR1GSTP1GSTM2CCNA2
SCHEMBL13429162 0.81 LMNA (0.42) LMNATP53DGAT2
SCHEMBL13428521 0.81 KDM4E (0.37) SSTR3NTRK1CCNA2CDK2CCNA1
SCHEMBL8178636 0.81 TGFBR1 (0.37) TGFBR1CCNA2CDK2CCNA1CDK5
SCHEMBL13428496 0.81 NR1H4 (0.34) P2RX3TGFBR1CCNA2CDK2CCNA1
SCHEMBL8185668 0.80 P2RX3 (0.34) SSTR3P2RX3TGFBR1GSTP1GSTM2
SCHEMBL13428546 0.80 MAPT (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL3229823 0.80 ALDH1A1 (0.39) LMNATP53DGAT2ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 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 (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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 SSTR3 839/4885P2RX3 4471/4885TGFBR1 905/4885

“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.