SCHEMBL6038109

SCHEMBL6038109

Cc1ccc(NC(=O)Nc2nc(CCCCCNC(=O)COCc3ccc(F)cc3)cs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 3/20 0.51
MAPK14 Q16539 3/20 0.51
MAPT P10636 5/20 0.51
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
DDR1 Q08345 1/20 0.41
MAPK11 Q15759 1/20 0.41
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ROCK1 Q13464 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
RAB9A P51151 2/20 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
SCHEMBL6038138 0.96 MAPT (0.50) DDR2MAPK14MAPTKMT2AROCK1
SCHEMBL6037944 0.92 LMNA (0.48) DDR2MAPK14MAPTKMT2ATP53
SCHEMBL6037891 0.88 KMT2A (0.45) DDR2MAPK14MAPTKMT2ASMN1; SMN2
SCHEMBL6037978 0.87 LMNA (0.47) DDR2MAPK14MAPTKMT2ASMN1; SMN2
SCHEMBL5282375 0.87 AOC3 (0.47) DDR2MAPK14KMT2ASMN1; SMN2TP53
SCHEMBL6038114 0.86 MAPT (0.52) DDR2MAPK14MAPTKMT2ASMN1; SMN2
SCHEMBL6037921 0.85 DDR2 (0.44) DDR2MAPK14MAPTMAPK13MAPK12
SCHEMBL5278096 0.85 SMN1; SMN2 (0.43) DDR2MAPK14MAPTKMT2ASMN1; SMN2
SCHEMBL5279990 0.84 ROCK2 (0.46) DDR2MAPK14KMT2AALDH1A1ROCK1
SCHEMBL6038350 0.83 DDR2 (0.42) DDR2MAPK14CYP1A2CYP2C9SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed

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 3936/4885MAPT 3848/4885

“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.