SCHEMBL12418499

SCHEMBL12418499

CC1(CC(=O)Nc2ccccc2-c2ccccc2)NC(=O)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.51
ALDH1A1 P00352 8/20 0.50
MAPT P10636 4/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL12418505 0.83 ALDH1A1 (0.50) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12378611 0.79 ALDH1A1 (0.45) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12378610 0.75 RAB9A (0.54) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12416711 0.73 IL1RN (0.46) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL6206191 0.72 ALDH1A1 (0.69) SOAT1ALDH1A1MAPTRAB9ANPC1
SCHEMBL12418496 0.71 MTNR1A (0.44) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL11741667 0.70 MAPT (0.65) SOAT1ALDH1A1MAPTRAB9ANPC1
SCHEMBL26646514 0.69 SOAT1 (0.78) SOAT1ALDH1A1MAPTRAB9ANPC1
SCHEMBL789303 0.69 MAPT (0.62) SOAT1ALDH1A1MAPTRAB9ANPC1
SCHEMBL28701426 0.69 MAPT (0.67) SOAT1ALDH1A1MAPTRAB9ANPC1

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-7998961-B2 For treating conditions associated with UDP-3-O (R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase (LpxC) SCHERING CORPORATION (US) 2011-08-16 US disclosed
US-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS SCHERING CORPORATION 2008-09-18 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-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS LPXN, HAX1, LCT SOAT1 1117/4885ALDH1A1 1419/4885MAPT 3987/4885

“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.