SCHEMBL9980103

SCHEMBL9980103

Cc1ccc2c(c1)Sc1ccc(C(C)C)cc1N2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 13/20 0.54
MAPT P10636 9/20 0.44
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
GAA P10253 7/20 0.44
TDP1 Q9NUW8 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
EPHX2 P34913 1/20 0.41
ALOX15 P16050 4/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 2/20 0.40
SNCA P37840 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX12 P18054 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 2/20 0.38

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
SCHEMBL2756739 0.94 NOX1 (0.50) NOX1MAPTMEN1KMT2AGAA
SCHEMBL2706291 0.90 NOX1 (0.59) NOX1MAPTMEN1KMT2AGAA
SCHEMBL2756476 0.85 NOX1 (0.53) NOX1MAPTMEN1KMT2AGAA
SCHEMBL28470729 0.83 SNCA (0.50) NOX1MAPTMEN1KMT2AGAA
SCHEMBL30467250 0.83 SNCA (0.50) NOX1MAPTMEN1KMT2AGAA
SCHEMBL11580945 0.82 NOX1 (0.77) NOX1MAPTMEN1KMT2AGAA
SCHEMBL225916 0.81 MAPT (0.59) NOX1MAPTMEN1KMT2AGAA
SCHEMBL29640485 0.81 MAPT (0.59) NOX1MAPTMEN1KMT2AGAA
SCHEMBL8156018 0.79 NOX1 (0.62) NOX1MAPTMEN1KMT2AGAA
SCHEMBL23746867 0.78 LMNA (0.41) NOX1MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 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-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NOX1 3704/4885MAPT 2923/4885MEN1 4292/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NOX1 3704/4885MAPT 2923/4885MEN1 4292/4885

“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.