SCHEMBL13428803

SCHEMBL13428803

CCOC(=O)c1cnc(NCCC(=O)N2CCC(C)CC2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
P2RY12 Q9H244 17/20 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
SCHEMBL13428491 0.83 ALDH1A1 (0.42) ATMNPC1RAB9A
SCHEMBL13428486 0.81 ALDH1A1 (0.42) ATMNPC1RAB9A
SCHEMBL13428573 0.77 ALDH1A1 (0.40) ATMNPC1RAB9A
SCHEMBL13428798 0.77 KDM4E (0.51) P2RY12
SCHEMBL13429147 0.76 ALDH1A1 (0.39) ATMNPC1
SCHEMBL3222737 0.75 ALDH1A1 (0.52) RAB9AP2RY12
SCHEMBL13428779 0.75 CYP1A2 (0.47) RAB9AP2RY12
SCHEMBL13428793 0.73 L3MBTL1 (0.44) P2RY12
SCHEMBL8184807 0.72 NPC1 (0.41) ATMNPC1RAB9A
SCHEMBL3227719 0.72 L3MBTL1 (0.47) P2RY12

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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 ATM 2546/4885NPC1 4152/4885RAB9A 4190/4885

“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.