SCHEMBL1880482

SCHEMBL1880482

O=C(NCc1ccc(F)cc1)c1nc2ccc(-c3ccccc3N3CCOCC3)cn2c(=O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
RECQL P46063 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC2A1 P11166 1/20 0.41
PSMD14 O00487 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
KCNH2 Q12809 1/20 0.40
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
CALCA P06881 1/20 0.39

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
SCHEMBL823395 0.85 CYP2C9 (0.51) TP53KDM4EALDH1A1HPGDRECQL
SCHEMBL6017752 0.82 KCNE1 (0.49) TP53KDM4EALDH1A1HPGDRECQL
SCHEMBL823392 0.81 TP53 (0.48) TP53KDM4EALDH1A1HPGDRECQL
SCHEMBL823396 0.80 L3MBTL1 (0.47) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL826219 0.78 LMNA (0.58) TP53HSD17B10SMN1; SMN2KMT2ALMNA
SCHEMBL359476 0.78 PSMD14 (0.45) TP53KDM4EALDH1A1HPGDRECQL
SCHEMBL823349 0.78 PSMD14 (0.48) TP53KDM4EALDH1A1HPGDRECQL
SCHEMBL825681 0.77 KDM4E (0.47) KDM4EALDH1A1HPGDRECQLCASP1
SCHEMBL826035 0.77 TP53 (0.48) TP53KDM4EALDH1A1HPGDRECQL
SCHEMBL823378 0.76 SLC2A1 (0.52) KDM4EALDH1A1SLC2A1SMN1; SMN2CYP2C9

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 10 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
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 TP53 1060/4885KDM4E 740/4885ALDH1A1 1847/4885

“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.