SCHEMBL22065258

SCHEMBL22065258

CCCCC(CC)c1nnc(C(C)(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKT1 P31749 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HMGCR P04035 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
SCHEMBL22064868 0.77 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL19003161 0.77 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3909195 0.76 ALDH1A1 (0.43) KDM4EKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21501800 0.67 POLB (0.37) KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL20653786 0.66 KDM4E (0.40) KDM4EAKT1
SCHEMBL22606902 0.65 CA1 (0.35) KDM4EMEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL22957136 0.65 CA1 (0.35) KDM4EMEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL22966529 0.65 CA1 (0.39) KDM4EMEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL11251896 0.65 KMT2A (0.40) KDM4EKMT2AALDH1A1
SCHEMBL25488050 0.63 LMNA (0.36) KDM4ECYP1A2SMN1; SMN2AKT1ALDH1A1

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-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE SCRIPPS RESEARCH INST (US) 2020-06-11 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-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE LPL, LIPE, LYPLA2 KDM4E 3875/4885MEN1 4096/4885CYP1A2 3060/4885

“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.