SCHEMBL1684145

SCHEMBL1684145

NC(=O)c1nc2ccccn2c(=O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.53
PTGS2 P35354 2/20 0.53
ALDH1A1 P00352 5/20 0.48
GAA P10253 4/20 0.48
KDM4E B2RXH2 6/20 0.47
GLA P06280 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.45
RXFP1 Q9HBX9 2/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
THRB P10828 1/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41

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
SCHEMBL12638575 0.84 KMT2A (0.53) PTGS1PTGS2ALDH1A1GAAKDM4E
SCHEMBL823323 0.81 ALDH1A1 (0.66) PTGS1PTGS2ALDH1A1GAAKDM4E
SCHEMBL29677209 0.78 THRB (0.57) PTGS1PTGS2ALDH1A1GAAKDM4E
SCHEMBL15924279 0.78 ALDH1A1 (0.70) PTGS1PTGS2ALDH1A1GAAKDM4E
SCHEMBL6288545 0.78 LMNA (0.48) PTGS1PTGS2ALDH1A1GAAKDM4E
SCHEMBL13732765 0.78 ALDH1A1 (0.66) PTGS1PTGS2ALDH1A1GAAKDM4E
SCHEMBL169466 0.76 PTGS2 (0.54) PTGS1PTGS2ALDH1A1GAAKDM4E
SCHEMBL14039272 0.76 KMT2A (0.57) ALDH1A1GAAKDM4EGLASMN1; SMN2
SCHEMBL846337 0.76 TP53 (0.52) ALDH1A1GAAKDM4EGLASMN1; SMN2
SCHEMBL31008778 0.75 ALDH1A1 (0.55) PTGS1PTGS2ALDH1A1GAAKDM4E

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 6 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 disclosed
US-7939537-B2 HIV integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-05-10 US disclosed
WO-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO disclosed
US-20090221571-A1 HIV INTEGRASE INHIBITORS MSD ITALIA S.R.L. (IT) 2009-09-03 US disclosed
EP-1937678-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-02 EP 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 PTGS1 2208/4885PTGS2 2747/4885ALDH1A1 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.