SCHEMBL1878447

SCHEMBL1878447

CCN(C(=O)CN1CCOCC1)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
RECQL P46063 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 2/20 0.44
KCNH2 Q12809 1/20 0.40
CYP2C9 P11712 1/20 0.40
GLA P06280 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR2 P34972 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 1/20 0.38
KCNE1 P15382 1/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL1878309 0.92 KDM4E (0.44) KDM4EALDH1A1HPGDRECQLCASP1
SCHEMBL1880006 0.88 CYP2C9 (0.42) KDM4EALDH1A1HPGDRECQLCASP1
SCHEMBL1879607 0.85 KCNH2 (0.42) ALDH1A1HPGDKMT2AKCNH2CYP2C9
SCHEMBL1875381 0.85 SMN1; SMN2 (0.41) KDM4EALDH1A1KMT2AKCNH2CYP2C9
SCHEMBL12638607 0.82 CYP2C9 (0.43) ALDH1A1HPGDKMT2AKCNH2CYP2C9
SCHEMBL12511229 0.82 CYP2C9 (0.43) KMT2AKCNH2CYP2C9CNR2KCNE1
SCHEMBL1875969 0.82 CYP2C9 (0.50) KMT2AKCNH2CYP2C9CNR2KCNE1
SCHEMBL1887024 0.82 ALDH1A1 (0.48) KDM4EALDH1A1HPGDRECQLCASP1
SCHEMBL1885166 0.82 CYP2C9 (0.47) KMT2AKCNH2CYP2C9RXFP1KCNE1
SCHEMBL1875135 0.81 CYP2C9 (0.42) KMT2AKCNH2CYP2C9RXFP1KCNE1

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 4 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-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

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 KDM4E 740/4885ALDH1A1 1847/4885HPGD 1879/4885

“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.