SCHEMBL4095188

SCHEMBL4095188

CCc1c(C(C)N)oc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.54
CA2 P00918 1/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
EYA3 Q99504 1/20 0.37
AGPAT2 O15120 1/20 0.36
GAA P10253 3/20 0.36
PLK1 P53350 1/20 0.36
RECQL P46063 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL13320401 0.86 ABCB1 (0.56) ABCB1CA2ALDH1A1KDM4EMAPT
SCHEMBL717390 0.81 ABCB1 (0.49) ABCB1ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL2840420 0.80 ABCB1 (0.55) ABCB1CA2ALDH1A1KDM4EMAPT
SCHEMBL4102929 0.80 ABCB1 (0.55) ABCB1CA2ALDH1A1KDM4EMAPT
SCHEMBL721278 0.78 ABCB1 (0.63) ABCB1ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL4092984 0.77 KDM4E (0.41) CA2ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL13799991 0.77 KDM4E (0.41) CA2ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL21358498 0.77 KDM4E (0.41) CA2ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL8183283 0.76 CA2 (0.54) ABCB1CA2ALDH1A1KDM4EMAPT
SCHEMBL14493816 0.73 ABCB1 (0.48) ABCB1CA2ALDH1A1KDM4EMAPT

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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI ABCB1 972/4885CA2 2091/4885ALDH1A1 2669/4885

“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.