SCHEMBL6038018

SCHEMBL6038018

O=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 3/20 0.48
AOC3 Q16853 2/20 0.47
PDE5A O76074 1/20 0.47
SCD O00767 10/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
GRM1 Q13255 1/20 0.43

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
SCHEMBL6038350 0.93 DDR2 (0.42) RAB9AKDM4EAOC3PDE5ASCD
SCHEMBL6037944 0.89 LMNA (0.48) RAB9APDE5A
SCHEMBL5280368 0.89 RAB9A (0.43) RAB9AKDM4EPDE5ASMN1; SMN2
SCHEMBL5279990 0.88 ROCK2 (0.46) RAB9APDE5ASCD
SCHEMBL5282375 0.87 AOC3 (0.47) RAB9AAOC3SMN1; SMN2
SCHEMBL6037949 0.86 RAB9A (0.49) RAB9AKDM4ESMN1; SMN2RXFP1
SCHEMBL6038138 0.86 MAPT (0.50) RAB9ARXFP1
SCHEMBL5281155 0.85 SMN1; SMN2 (0.51) RAB9AKDM4ESMN1; SMN2RXFP1
SCHEMBL5281070 0.84 MEN1 (0.47)
SCHEMBL5286061 0.84 ALDH1A1 (0.55) SMN1; SMN2

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-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 RAB9A 2884/4885KDM4E 67/4885AOC3 3937/4885

“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.