SCHEMBL3374397

SCHEMBL3374397

COc1ccc2c(O)cc(C(=O)NN)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PDE3B Q13370 8/20 0.47
PDE3A Q14432 5/20 0.47
GAA P10253 4/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TACR3 P29371 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GRM2 Q14416 1/20 0.43
MMP13 P45452 1/20 0.42

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
SCHEMBL562343 0.85 BACE1 (0.47) KDM4EALDH1A1PDE3BPDE3AGAA
SCHEMBL2908122 0.83 ALOX15 (0.50) KDM4EALDH1A1POLBSMN1; SMN2PDE3B
SCHEMBL3336367 0.80 ALDH1A1 (0.54) KDM4EALDH1A1POLBSMN1; SMN2GAA
SCHEMBL8357155 0.79 NPSR1 (0.42) KDM4EALDH1A1POLBSMN1; SMN2PDE3B
SCHEMBL8151024 0.78 PDE3B (0.47) KDM4EALDH1A1POLBSMN1; SMN2PDE3B
SCHEMBL1166339 0.75 NCF1 (0.51) KDM4EALDH1A1POLBSMN1; SMN2GAA
SCHEMBL5717584 0.73 GRM2 (0.55) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL2910558 0.73 PLA2G2A (0.54) KDM4EALDH1A1POLBKMT2ALMNA
SCHEMBL12891930 0.73 MPO (0.46) KDM4EALDH1A1POLBSMN1; SMN2GAA
SCHEMBL8139912 0.73 NPSR1 (0.54) KDM4EALDH1A1POLBSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (2 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885ALDH1A1 3957/4885POLB 57/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885ALDH1A1 3957/4885POLB 57/4885

“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.