SCHEMBL6038114

SCHEMBL6038114

COc1cccc(NC(=O)Nc2nc(CCCCCNC(=O)COCc3ccc(F)cc3)cs2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.45
PAX8 Q06710 1/20 0.45
TP53 P04637 2/20 0.44
MAPK14 Q16539 1/20 0.43
DDR2 Q16832 1/20 0.43
RAB9A P51151 1/20 0.43
HTR2A P28223 1/20 0.43
CCR3 P51677 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL5278096 0.91 SMN1; SMN2 (0.43) MAPTSMN1; SMN2KMT2AMEN1MAPK14
SCHEMBL6037944 0.90 LMNA (0.48) MAPTKMT2ATP53MAPK14DDR2
SCHEMBL6037891 0.89 KMT2A (0.45) MAPTSMN1; SMN2KMT2AMEN1PAX8
SCHEMBL6038138 0.89 MAPT (0.50) MAPTKMT2ATP53MAPK14DDR2
SCHEMBL6038109 0.86 DDR2 (0.51) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL6037978 0.84 LMNA (0.47) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL5282375 0.83 AOC3 (0.47) SMN1; SMN2KMT2ATP53MAPK14DDR2
SCHEMBL5280368 0.83 RAB9A (0.43) MAPTSMN1; SMN2KMT2ATP53DDR2
SCHEMBL5279990 0.82 ROCK2 (0.46) KMT2AMAPK14DDR2RAB9ALMNA
SCHEMBL6038350 0.81 DDR2 (0.42) SMN1; SMN2MAPK14DDR2RAB9ALMNA

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 MAPT 3848/4885SMN1; SMN2 3733/4885KMT2A 30/4885

“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.