SCHEMBL4894642

SCHEMBL4894642

COc1cccc(CC(CN2C(=O)c3ccccc3C2=O)N(C=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.43
HEXB P07686 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CMA1 P23946 1/20 0.39
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
ALPL P05186 1/20 0.38

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
SCHEMBL4891509 0.89 L3MBTL1 (0.40) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL4728196 0.81 TAAR1 (0.45) KMT2AMEN1CMA1TAAR1
SCHEMBL4782265 0.77 MAOB (0.41) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL4784027 0.75 TAAR1 (0.55) HEXAHEXBNR1H2NR1H3KMT2A
Hydrochloric Acid SCHEMBL4899590 0.74 TAAR1 (0.54) HEXAHEXBNR1H2NR1H3KMT2A
SCHEMBL18669155 0.70 KMT2A (0.75) NR1H2NR1H3KMT2AALDH1A1KDM4E
SCHEMBL6965415 0.69 NR1H2 (0.67) HEXAHEXBNR1H2NR1H3KMT2A
SCHEMBL4729932 0.69 MAPK1 (0.39) KMT2APOLBMAPK1L3MBTL1
SCHEMBL4729192 0.67 OPRK1 (0.40) KMT2AALDH1A1MEN1MAPK1ATM
SCHEMBL8801774 0.66 NR1H2 (0.62) HEXAHEXBNR1H2NR1H3KMT2A

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 HEXA 2139/4885HEXB 2440/4885NR1H2 750/4885

“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.