SCHEMBL1880503

SCHEMBL1880503

CN(C(=O)CS(C)(=O)=O)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KCNE1 P15382 1/20 0.39
CCR1 P32246 1/20 0.39
KCNQ1 P51787 1/20 0.39
ERCC1 P07992 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL1881234 0.88 KCNH2 (0.46) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL1881737 0.86 SMN1; SMN2 (0.47) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL1877128 0.86 CYP2C9 (0.52) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL1875360 0.84 SMN1; SMN2 (0.45) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL1879607 0.81 KCNH2 (0.42) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL1875969 0.80 CYP2C9 (0.50) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL12952653 0.80 SMN1; SMN2 (0.47) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL1886479 0.80 THRB (0.57) SMN1; SMN2KCNE1CCR1KCNQ1ERCC1
SCHEMBL1875381 0.80 SMN1; SMN2 (0.41) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL1881581 0.79 KCNH2 (0.46) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937678-B1 HIV INTEGRASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2011-07-27 EP claimed
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-7939537-B2 HIV integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-05-10 US disclosed
US-7939537-B2 HIV integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-05-10 US disclosed
US-7939537-B2 HIV integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-05-10 US disclosed
US-20090221571-A1 HIV INTEGRASE INHIBITORS MSD ITALIA S.R.L. (IT) 2009-09-03 US disclosed
US-20090221571-A1 HIV INTEGRASE INHIBITORS MSD ITALIA S.R.L. (IT) 2009-09-03 US disclosed
WO-2007039218-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2007-04-12 WO 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 KCNH2 2196/4885CYP2C9 535/4885SMN1; SMN2 3573/4885

“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.