SCHEMBL6038350

SCHEMBL6038350

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 2/20 0.42
MAPK14 Q16539 1/20 0.42
RAB9A P51151 1/20 0.42
SCD O00767 7/20 0.41
KDM4E B2RXH2 3/20 0.41
AOC3 Q16853 2/20 0.41
ROCK1 Q13464 1/20 0.41
PDE5A O76074 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL6038018 0.93 RAB9A (0.48) RAB9ASCDKDM4EAOC3PDE5A
SCHEMBL6037944 0.89 LMNA (0.48) DDR2MAPK14RAB9APDE5ALMNA
SCHEMBL5279990 0.88 ROCK2 (0.46) DDR2MAPK14RAB9ASCDROCK1
SCHEMBL6038138 0.86 MAPT (0.50) DDR2MAPK14RAB9AROCK1LMNA
SCHEMBL5280368 0.86 RAB9A (0.43) DDR2RAB9AKDM4EPDE5ASMN1; SMN2
SCHEMBL6037978 0.85 LMNA (0.47) DDR2MAPK14RAB9ASCDKDM4E
SCHEMBL5282375 0.84 AOC3 (0.47) DDR2MAPK14RAB9AAOC3SMN1; SMN2
SCHEMBL5278096 0.83 SMN1; SMN2 (0.43) DDR2MAPK14RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6038109 0.83 DDR2 (0.51) DDR2MAPK14RAB9AROCK1SMN1; SMN2
SCHEMBL5281070 0.82 MEN1 (0.47) ALDH1A1LMNACYP2C9

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 DDR2 3735/4885MAPK14 3936/4885RAB9A 2884/4885

“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.