SCHEMBL1876737

SCHEMBL1876737

O=C(NCc1ccc(F)cc1)c1nc2ccccn2c(=O)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
METTL3 Q86U44 2/20 0.52
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 6/20 0.50
HPGD P15428 4/20 0.50
CASP1 P29466 3/20 0.50
CASP7 P55210 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TSHR P16473 2/20 0.50
RECQL P46063 2/20 0.50
LMNA P02545 2/20 0.50
ESR1 P03372 1/20 0.50
MCL1 Q07820 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
RUNX1 Q01196 1/20 0.50
CBFB Q13951 1/20 0.50
ERCC1 P07992 1/20 0.48
FEN1 P39748 1/20 0.48
ERCC4 Q92889 1/20 0.48

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
SCHEMBL846337 0.91 TP53 (0.52) SMN1; SMN2METTL3ALDH1A1KDM4EHPGD
SCHEMBL825951 0.88 SMN1; SMN2 (0.52) SMN1; SMN2METTL3ALDH1A1KDM4EHPGD
SCHEMBL1011897 0.84 KDM4E (0.44) SMN1; SMN2METTL3ALDH1A1KDM4EHPGD
SCHEMBL823513 0.83 ERCC1 (0.48) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL823368 0.83 CYP2C9 (0.55) SMN1; SMN2HSD17B10POLBERCC1FEN1
SCHEMBL823326 0.83 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL823370 0.83 KCNE1 (0.49) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL4555867 0.82 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1886479 0.81 THRB (0.57) SMN1; SMN2ERCC1FEN1ERCC4MEN1
SCHEMBL12952653 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10

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 SMN1; SMN2 3573/4885METTL3 3922/4885ALDH1A1 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.