SCHEMBL6037909

SCHEMBL6037909

COc1ccc(CCNc2ccccc2NC(=O)CCCCCNC(=O)COCc2ccc(F)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL8260932 0.86 MEN1 (0.41) SMN1; SMN2LMNAHPGDMEN1KMT2A
SCHEMBL6376374 0.77 SMN1; SMN2 (0.67) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL5280748 0.74 ALDH1A1 (0.50) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL5280854 0.72 HDAC6 (0.56) HDAC3HDAC1
SCHEMBL5291493 0.72 POLB (0.49) SMN1; SMN2LMNAMAPTALDH1A1MTNR1A
SCHEMBL5282279 0.71 ITGB3 (0.47) LMNAHPGDKMT2AATMHDAC3
SCHEMBL6038201 0.71 HDAC6 (0.54) HDAC3HDAC1
SCHEMBL23417617 0.71 ALDH1A1 (0.77) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL6038071 0.71 ALDH1A1 (0.57) MEN1KMT2AMAPTALDH1A1MTNR1A
SCHEMBL7278495 0.70 PLAAT3 (0.74) SMN1; SMN2LMNAMEN1KMT2AMAPT

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 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 SMN1; SMN2 3733/4885LMNA 851/4885HPGD 2248/4885

“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.