SCHEMBL22601588

SCHEMBL22601588

CC(C)(C)c1cc(C(=O)Nc2cccnc2)ccn1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.76
NPC1 O15118 4/20 0.67
RAB9A P51151 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.65
NAMPT P43490 4/20 0.62
ALDH1A1 P00352 2/20 0.62
HIF1A Q16665 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
GAA P10253 1/20 0.57
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56

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
SCHEMBL22601457 0.86 LMNA (1.00) LMNANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL22601573 0.83 LMNA (0.79) LMNANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL16881794 0.83 NPC1 (0.75) LMNANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL18125241 0.81 NPC1 (0.67) LMNANPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL22601558 0.81 LMNA (0.74) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16703342 0.80 CYP11B1 (0.65) LMNANPC1RAB9ANAMPTALDH1A1
SCHEMBL22601460 0.80 LMNA (0.82) LMNANPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL18125250 0.79 GSK3B (0.65) LMNANPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL22601544 0.79 LMNA (0.85) LMNANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL22601584 0.78 LMNA (0.80) LMNANPC1RAB9ASMN1; SMN2ALDH1A1

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 LMNA 3233/4885NPC1 1692/4885RAB9A 2977/4885

“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.