SCHEMBL14048423

SCHEMBL14048423

NC(=O)c1nc(-c2ccccc2)nc2c1NCC2C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ACACB O00763 2/20 0.41
ACACA Q13085 2/20 0.41
HTR2B P41595 6/20 0.40
ACHE P22303 1/20 0.40
HPGDS O60760 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
EPHX1 P07099 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATR Q13535 1/20 0.38
HSD11B1 P28845 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL14048404 0.86 BTK (0.37) TSHR
SCHEMBL14048399 0.84 PIK3CD (0.42) TSHRKMT2A
SCHEMBL4663282 0.70 HTR2B (0.44) SMN1; SMN2ACACBACACAHTR2BACHE
SCHEMBL10254838 0.66 L3MBTL3 (0.61) SMN1; SMN2ACHEPTPN2PTPN1EPHX1
SCHEMBL13801428 0.65 SIGMAR1 (0.72) ACHEPTPN2PTPN1EPHX1L3MBTL3
SCHEMBL9029952 0.63 SMN1; SMN2 (0.82) SMN1; SMN2ACHEEPHX1L3MBTL3L3MBTL1
SCHEMBL409005 0.63 ACHE (0.69) SMN1; SMN2ACHEEPHX1L3MBTL3L3MBTL1
SCHEMBL8988831 0.63 ACHE (0.69) SMN1; SMN2ACHEPTPN2PTPN1EPHX1
SCHEMBL4003983 0.62 ACHE (0.73) SMN1; SMN2ACHEEPHX1L3MBTL3L3MBTL1
SCHEMBL10755803 0.62 ATM (0.50) ACACBACACAHTR2BL3MBTL1HPGD

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-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 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-20080242685-A1 Chemical Compounds NFKBIA, IKBKG, NFKB2 SMN1; SMN2 4427/4885ACACB 1271/4885ACACA 1715/4885

“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.