SCHEMBL21305142

SCHEMBL21305142

CC(C)(C)c1ccc2ncc(Cl)cn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
SCN5A Q14524 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PLAU P00749 1/20 0.33
ELANE P08246 1/20 0.33
EIF2AK4 Q9P2K8 3/20 0.32
FLT3 P36888 6/20 0.32
PSMD14 O00487 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
RIPK2 O43353 1/20 0.31
NRAS P01111 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL21305144 0.86 POLB (0.51) POLBSCN5AMEN1KMT2AEIF2AK4
SCHEMBL21370423 0.80 SCN5A (0.35) POLBSCN5AEIF2AK4CYP1A2CYP2C9
SCHEMBL19631457 0.80 CYP1A2 (0.42) POLBSCN5ACYP1A2CYP2C9ALDH1A1
SCHEMBL18352549 0.76 SCN5A (0.33) SCN5ACYP1A2CYP2C9TGFBR1
SCHEMBL21305148 0.74 APP (0.33) PLAUELANE
SCHEMBL24654977 0.73 CYP1A2 (0.50) POLBSCN5ACYP1A2CYP2C9ALDH1A1
SCHEMBL23419244 0.73 SCN5A (0.38) POLBSCN5AMEN1KMT2APLAU
SCHEMBL18416824 0.71 POLB (0.55) POLBMEN1KMT2AFLT3CYP1A2
SCHEMBL30926482 0.71 PIK3CA (0.43) SCN5AEIF2AK4FLT3
SCHEMBL20208532 0.71 SCN5A (0.54) POLBSCN5AMEN1KMT2AEIF2AK4

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-20190263818-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2019-08-29 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-20190263818-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 POLB 4534/4885SCN5A 3000/4885MEN1 1423/4885

“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.