SCHEMBL3970447

SCHEMBL3970447

[C]1=CSNc2ccccc21

nearest known ligand 0.30

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
BCHE P06276 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
MAOA P21397 1/20 0.30
CNR1 P21554 1/20 0.30
ACHE P22303 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
PTGS2 P35354 1/20 0.30
SNCA P37840 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4636177 0.67
SCHEMBL9935222 0.62
SCHEMBL5803931 0.62
SCHEMBL4777381 0.60
SCHEMBL151990 0.59 GAA (0.31) GAAALOX15
SCHEMBL1958600 0.59 ALOX5 (0.34)
SCHEMBL3088508 0.59
SCHEMBL3021916 0.58
SCHEMBL2514090 0.58 GAA (0.50) MEN1CYP1A2BCHEPOLBCYP3A4
SCHEMBL7405309 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS NOVARTIS AG (CH) 2009-01-29 US claimed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 US 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-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS SLC10A2, SLC10A1, ASAH2 MEN1 26/4885CYP1A2 2961/4885BCHE 2978/4885
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 MEN1 69/4885CYP1A2 1079/4885BCHE 694/4885

“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.