SCHEMBL2531997

SCHEMBL2531997

CN(C)CC1c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1CCc1ccn(C)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
CYP2C9 P11712 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.39
KCNE1 P15382 1/20 0.37
CCR1 P32246 1/20 0.37
KCNQ1 P51787 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
CALCA P06881 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NAMPT P43490 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ERCC1 P07992 1/20 0.34
FEN1 P39748 1/20 0.34
ERCC4 Q92889 1/20 0.34
MAPT P10636 1/20 0.33
TP53 P04637 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
SCHEMBL2207582 0.93 KCNH2 (0.52) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL2207201 0.85 KCNH2 (0.61) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL2531992 0.83 KCNH2 (0.51) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL2208031 0.81 KCNH2 (0.59) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL2207912 0.81 CYP2C9 (0.54) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL2207126 0.80 KCNH2 (0.62) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL2206748 0.80 CYP2C9 (0.64) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL2209452 0.80 KCNH2 (0.57) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL12243869 0.78 KCNH2 (0.60) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL12244554 0.78 KCNH2 (0.59) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1

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-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 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-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 KCNH2 2918/4885CYP2C9 672/4885SMN1; SMN2 2699/4885

“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.