SCHEMBL1883246

SCHEMBL1883246

CCN(C(=O)c1ccncc1)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP2C9 P11712 1/20 0.40
KCNE1 P15382 1/20 0.38
CCR1 P32246 1/20 0.38
KCNQ1 P51787 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
CALCA P06881 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
SCHEMBL1875135 0.88 CYP2C9 (0.42) L3MBTL1SMN1; SMN2ERCC1FEN1ERCC4
SCHEMBL1878060 0.87 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2ERCC1FEN1ERCC4
SCHEMBL1875969 0.86 CYP2C9 (0.50) L3MBTL1SMN1; SMN2ERCC1FEN1ERCC4
SCHEMBL12511229 0.86 CYP2C9 (0.43) L3MBTL1SMN1; SMN2ERCC1FEN1ERCC4
SCHEMBL12638607 0.86 CYP2C9 (0.43) L3MBTL1SMN1; SMN2ERCC1FEN1ERCC4
SCHEMBL1875381 0.85 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2ERCC1FEN1ERCC4
SCHEMBL1879607 0.85 KCNH2 (0.42) L3MBTL1SMN1; SMN2ERCC1FEN1ERCC4
SCHEMBL1878054 0.84 KCNE1 (0.54) L3MBTL1SMN1; SMN2ERCC1FEN1ERCC4
SCHEMBL1880109 0.84 SMN1; SMN2 (0.38) L3MBTL1SMN1; SMN2ERCC1FEN1ERCC4
SCHEMBL1881737 0.83 SMN1; SMN2 (0.47) L3MBTL1SMN1; SMN2ERCC1FEN1ERCC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939537-B2 HIV integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-05-10 US claimed
EP-1937678-B1 HIV INTEGRASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2011-07-27 EP disclosed
US-20090221571-A1 HIV INTEGRASE INHIBITORS MSD ITALIA S.R.L. (IT) 2009-09-03 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-20090221571-A1 HIV INTEGRASE INHIBITORS TYMP, CDK2, TYMS L3MBTL1 1350/4885SMN1; SMN2 3573/4885ERCC1 1138/4885

“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.