SCHEMBL22338262

SCHEMBL22338262

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
POLB P06746 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
TRPA1 O75762 1/20 0.33
CACNA1H O95180 2/20 0.30
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL20017286 0.84 EPHX1 (0.52) EPHX1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL19172100 0.81 EPHX1 (0.62) EPHX1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5019737 0.80 POLB (0.48) EPHX1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL26431375 0.75 ALDH1A1 (0.38) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19171555 0.75 MEN1 (0.46) EPHX1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL19703744 0.74 EPHX1 (0.53) EPHX1SMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL2625566 0.74 EPHX1 (0.48) EPHX1RAB9AALDH1A1MEN1LMNA
SCHEMBL13644760 0.74 NPC1 (0.50) EPHX1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL19171338 0.73 NPC1 (0.57) EPHX1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21676411 0.72 ALDH1A1 (0.39) EPHX1NPC1RAB9AMAPTSMN1; SMN2

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-20200255416-A1 BAF Complex Modulating Compounds and Methods of Using the Same THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY 2020-08-13 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-20200255416-A1 BAF Complex Modulating Compounds and Methods of Using the Same SMARCC1, SMARCC2, ATRIP EPHX1 3816/4885NPC1 3450/4885RAB9A 1321/4885

“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.