SCHEMBL5282756

SCHEMBL5282756

CCOC(=O)c1ccc(NC(=O)N2CCC(CCNC(=O)COCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CASP3 P42574 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5279924 0.89 KMT2A (0.48) CYP2C9CYP2C19KMT2AGAA
SCHEMBL5291871 0.86 FAAH (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL5282679 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KMT2A
SCHEMBL5292648 0.82 L3MBTL1 (0.49) SMN1; SMN2KMT2AMAPTGAANPSR1
SCHEMBL6038154 0.78 SMO (0.40) SMN1; SMN2KMT2AMAPT
SCHEMBL5281167 0.78 L3MBTL1 (0.48) SMN1; SMN2KMT2AMAPTGAANPSR1
SCHEMBL5280999 0.77 POLB (0.50) ALDH1A1POLB
SCHEMBL5289399 0.75 LMNA (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2CYP2C19
SCHEMBL5277959 0.75 CHRM4 (0.42) KMT2A
SCHEMBL7821529 0.74 CCR3 (0.66) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO 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 2884/4885NPC1 3663/4885ALDH1A1 781/4885

“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.