SCHEMBL3375748

SCHEMBL3375748

COc1cc(O)c2cccc(Cl)c2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.44
PARP1 P09874 1/20 0.40
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NQO2 P16083 2/20 0.36
MAPT P10636 4/20 0.36
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DHODH Q02127 1/20 0.36
EP300 Q09472 1/20 0.36

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
SCHEMBL1021189 0.83 NR4A2 (0.41) NR4A2PARP1SMN1; SMN2MAPTHSP90AA1
SCHEMBL3373386 0.83 SMN1; SMN2 (0.44) NR4A2PARP1NPSR1SMN1; SMN2HSP90AA1
SCHEMBL13757342 0.82 KDM4E (0.50) NR4A2PARP1SMN1; SMN2NQO2HSP90AA1
SCHEMBL15483739 0.81 NR4A2 (0.37) NR4A2PARP1NPSR1SMN1; SMN2MAPT
SCHEMBL8145393 0.81 NR4A2 (0.37) NR4A2PARP1NPSR1SMN1; SMN2MAPT
SCHEMBL13248807 0.80 NR4A2 (0.40) NR4A2PARP1MAPTKDM4E
SCHEMBL1026984 0.78 NR4A2 (0.65) NR4A2PARP1MAPTHSP90AA1KDM4E
SCHEMBL11403030 0.78 NR4A2 (0.46) NR4A2PARP1SMN1; SMN2NQO2MAPT
SCHEMBL30601891 0.78 NR4A2 (0.46) NR4A2PARP1SMN1; SMN2NQO2MAPT
SCHEMBL3372000 0.77 MAP4K4 (0.37) NR4A2PARP1NPSR1MAPTKDM4E

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
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-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
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 NR4A2 3771/4885PARP1 671/4885NPSR1 4462/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR4A2 3771/4885PARP1 671/4885NPSR1 4462/4885

“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.