SCHEMBL8248295

SCHEMBL8248295

COC(=O)CNCC(=O)NC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
TET2 Q6N021 1/20 0.42
MAPT P10636 3/20 0.38
TSHR P16473 5/20 0.37
GAA P10253 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL73416 0.79 TSHR (0.56) RECQLTET2MAPTTSHRGAA
SCHEMBL12057423 0.78 GAA (0.46) RECQLTET2MAPTTSHRGAA
Hydrochloric Acid SCHEMBL112927 0.77 TSHR (0.53) RECQLTET2MAPTTSHRGAA
SCHEMBL18743857 0.76 ATM (0.47) MAPTTSHRGAANPC1SMN1; SMN2
SCHEMBL9965485 0.76 SMN1; SMN2 (0.39) MAPTGAANPC1SMN1; SMN2HTT
SCHEMBL1396293 0.74
SCHEMBL7433191 0.74 CA12 (0.50) RECQLTET2TSHRGAACA12
SCHEMBL2915191 0.72 MGAM (0.41) RECQLTET2MAPTTSHRGAA
SCHEMBL8435029 0.72 RECQL (0.47) RECQLTET2TSHRGAALMNA
SCHEMBL8248045 0.72 ALDH1A1 (0.38) MAPTTSHRGAANPC1SMN1; SMN2

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-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 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-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A RECQL 953/4885TET2 646/4885MAPT 4577/4885

“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.