SCHEMBL13430693

SCHEMBL13430693

C#CCOc1c(C)cc(C(=O)NC)cc1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
P2RX3 P56373 3/20 0.36
P2RX2 Q9UBL9 3/20 0.36
LMNA P02545 1/20 0.36
PLAU P00749 4/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
PLK1 P53350 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KAT6A Q92794 1/20 0.34
MAPK14 Q16539 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL12377617 0.90 LMNA (0.40) P2RX3P2RX2LMNAPLAUCHRNB2
SCHEMBL14530741 0.84 CYP2C9 (0.41) P2RX3P2RX2PLAUMAOBMAPK14
SCHEMBL3291059 0.78 MAOB (0.43) P2RX3P2RX2MAOBTAS1R3TAS1R1
SCHEMBL2288990 0.76 KDM4E (0.43) LMNAMAOAMAOBALDH1A1HPGD
SCHEMBL3289602 0.75 L3MBTL1 (0.43) HDAC1HDAC6P2RX3P2RX2CHRNB2
SCHEMBL12377620 0.75 MAOB (0.38) MAOAMAOBKAT6A
SCHEMBL12379047 0.75 MMP1 (0.37) P2RX3P2RX2MAOAMAOBCHRNB2
SCHEMBL3304686 0.75 CYP2C9 (0.39) P2RX3P2RX2MAOBMAPK14TAS1R3
SCHEMBL3306956 0.75 CYP2C9 (0.39) P2RX3P2RX2MAOBMAPK14TAS1R3
SCHEMBL3292761 0.75 NPC1 (0.47) P2RX3P2RX2ALDH1A1KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (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-20100069499-A1 AMIDE COMPOUND AND USE THEREOF CBR1, CBR3, GBA1 HDAC1 159/4885HDAC6 508/4885P2RX3 4503/4885

“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.