SCHEMBL9932940

SCHEMBL9932940

CCc1cccc2c1Nc1c(cccc1C(C)C)S2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
GABRA1 P14867 4/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
GABRB2 P47870 3/20 0.32
TSHR P16473 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
GABRB1 P18505 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32

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
Iodide SCHEMBL2593575 0.97 PDK2 (0.36) PDK2GABRA1GABRG2GABRB3SCN5A
SCHEMBL2590797 0.87 PDK2 (0.46) PDK2GABRA1GABRB2TSHRLMNA
SCHEMBL28939776 0.87 PTGS1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
Iodide SCHEMBL2594068 0.83 PDK2 (0.43) PDK2GABRA1GABRB2TSHRLMNA
SCHEMBL2592493 0.80 PDK2 (0.41) PDK2GABRA1GABRB2TSHRCA1
SCHEMBL2588452 0.80 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRB2TSHR
Iodide SCHEMBL9932003 0.78 PDK2 (0.39) PDK2GABRA1GABRB2TSHRCA1
Iodide SCHEMBL17698406 0.78 CYP1A2 (0.34) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL2582870 0.76 NOX1 (0.53) PDK2TSHRLMNACYP1A2CYP3A4
SCHEMBL8749550 0.76 NOX1 (0.53) LMNACYP1A2CYP3A4HPGDPTGS1

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-2585073-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-04-27 EP disclosed
US-8785434-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-07-22 US disclosed
CN-102958525-A Antiviral compounds PROSTETTA ANTIVIRAL INC 2013-03-06 CN disclosed
US-20120157435-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-06-21 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 (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-20120157435-A1 Antiviral Compounds MAVS, ZC3HAV1, EIF2AK2 PDK2 1288/4885GABRA1 2007/4885GABRG2 2777/4885

“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.