SCHEMBL19115237

SCHEMBL19115237

CC(C)(C)CNC(=O)CCNC(=O)NC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
CACNA1H O95180 6/20 0.39
KDM4C Q9H3R0 1/20 0.39
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 2/20 0.35
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL2733557 0.83 NPC1 (0.44) MAPTNPC1RAB9ASMN1; SMN2CACNA1H
SCHEMBL13853869 0.82 KEAP1 (0.36) MAPTSMN1; SMN2CACNA1HKDM4CEPHX1
SCHEMBL24535362 0.80 CACNA1H (0.35) CACNA1HALDH1A1TSHR
SCHEMBL19171338 0.79 NPC1 (0.57) MAPTNPC1RAB9ASMN1; SMN2CACNA1H
SCHEMBL8070389 0.78 LDHA (0.34) MAPTSMN1; SMN2CACNA1HALDH1A1TSHR
SCHEMBL20017302 0.77 NPC1 (0.55) MAPTNPC1RAB9ASMN1; SMN2CACNA1H
SCHEMBL15224154 0.76 NPC1 (0.47) MAPTNPC1RAB9ASMN1; SMN2CACNA1H
SCHEMBL13644760 0.75 NPC1 (0.50) MAPTNPC1RAB9ASMN1; SMN2CACNA1H
SCHEMBL19171376 0.74 EPHX1 (0.57) MAPTNPC1RAB9ASMN1; SMN2CACNA1H
SCHEMBL19164342 0.74 NPC1 (0.53) MAPTNPC1RAB9ASMN1; SMN2CACNA1H

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-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-07-13 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-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR TMBIM6, HAVCR2, HDGF MAPT 2073/4885NPC1 856/4885RAB9A 1374/4885

“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.