SCHEMBL4891509

SCHEMBL4891509

CCCOc1cccc(CC(CN2C(=O)c3ccccc3C2=O)N(C=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
MMP2 P08253 2/20 0.36
MMP3 P08254 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 2/20 0.34
GRM5 P41594 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL4894642 0.89 HEXA (0.43) L3MBTL1KMT2AMAPTMMP2MMP3
SCHEMBL4729932 0.82 MAPK1 (0.39) L3MBTL1KMT2ATDP1CYP2D6MAPK1
SCHEMBL4782265 0.74 MAOB (0.41) L3MBTL1RAB9AKMT2ATDP1ALDH1A1
SCHEMBL4569116 0.68 RAB9A (0.74) L3MBTL1RAB9AKMT2ATDP1MAPT
SCHEMBL4891517 0.67 L3MBTL1 (0.39) L3MBTL1RAB9AKMT2ATDP1MAPT
SCHEMBL15923064 0.65 KMT2A (0.52) L3MBTL1RAB9AKMT2ATDP1MAPT
SCHEMBL15923238 0.65 KMT2A (0.52) L3MBTL1RAB9AKMT2ATDP1MAPT
SCHEMBL674943 0.65 CTSS (0.40) RAB9AKMT2ATDP1MAPTTP53
SCHEMBL4729192 0.64 OPRK1 (0.40) KMT2AALDH1A1MAPK1MEN1
Dimethylamine SCHEMBL9872141 0.64 RAB9A (0.63) L3MBTL1RAB9AKMT2ATDP1MAPT

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR L3MBTL1 1483/4885RAB9A 2813/4885KMT2A 758/4885

“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.