SCHEMBL626282

SCHEMBL626282

Oc1ncccc1OBOc1cccnc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.34
ALDH1A1 P00352 4/20 0.33
METAP2 P50579 3/20 0.33
METAP1 P53582 3/20 0.33
MMP2 P08253 2/20 0.33
TSHR P16473 2/20 0.33
CHRM1 P11229 1/20 0.33
COMT P21964 1/20 0.33
ADRA1A P35348 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 7/20 0.33
LTA4H P09960 1/20 0.32
MAPK14 Q16539 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 3/20 0.31

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
SCHEMBL178392 0.76
SCHEMBL31259513 0.76
SCHEMBL1888792 0.74 CHRNB2 (0.40) L3MBTL1KMT2ALMNANPC1MAPT
SCHEMBL2562567 0.74 CHRNB2 (0.40) PLAUL3MBTL1KDM4ELTA4HMAPK14
SCHEMBL2530739 0.74 CHRNB2 (0.42) PLAUL3MBTL1KDM4ENPC1HSP90AA1
SCHEMBL28266392 0.72 ALDH1A1 (0.41) PLAUALDH1A1METAP2METAP1MMP2
SCHEMBL3574928 0.72 GRM5 (0.49) PLAUALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL31189701 0.72 PLAU (0.33) PLAUALDH1A1METAP2METAP1MMP2
SCHEMBL321659 0.71 CHRNB4 (0.44) PLAUALDH1A1MEN1KMT2ALMNA
SCHEMBL1763855 0.71 KDM4E (0.56) METAP2METAP1MMP2TSHRCHRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8734777-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2014-05-27 US disclosed
EP-2603501-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-05-14 EP disclosed
US-20130209397-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2013-08-15 US disclosed
EP-2603501-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012020037-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 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-20130209397-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, MAVS PLAU 3910/4885ALDH1A1 540/4885METAP2 2811/4885

“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.