SCHEMBL13349079

SCHEMBL13349079

CC(C)Cc1ccnc(S)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MAPK1 P28482 1/20 0.34
NR3C2 P08235 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ABL1 P00519 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 2/20 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
SCHEMBL6560519 0.79 GABRA1 (0.42) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL23863910 0.78 GABRA1 (0.39) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL487712 0.78 UHRF1 (0.46) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL8430518 0.77
SCHEMBL17000195 0.76 POLB (0.44) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL18458630 0.76 GABRA1 (0.48) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL10159790 0.76 RECQL (0.57) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL12120626 0.76 GABRA1 (0.40) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL17000172 0.76 GABRA1 (0.40) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL831023 0.76 NOS3 (0.62) GABRA1GABRB2KDM4EPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451604-B2 Methods of measuring hydrogen sulfide concentrations in reservoir fluids SHELL OIL COMPANY (US) 2019-10-22 US disclosed
US-20180045705-A1 METHODS OF MEASURING HYDROGEN SULFIDE CONCENTRATIONS IN RESERVOIR FLUIDS SHELL OIL COMPANY 2018-02-15 US disclosed
EP-1539980-B1 LIBRARY OF COMPLEXES COMPRISING SMALL NON-PEPTIDE MOLECULES AND DOUBLE-STRANDED OLIGONUCLEOTIDES IDENTIFYING THE MOLECULES NUEVOLUTION AS (DK) 2016-02-17 EP disclosed
US-9121110-B2 Quasirandom structure and function guided synthesis methods NUEVOLUTION A/S (DK) 2015-09-01 US disclosed
US-7727713-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2010-06-01 US disclosed
EP-2175019-A2 Quasirandom structure and function guided synthesis methods Nuevolution A/S (DK) 2010-04-14 EP disclosed
US-20080193983-A1 Quasirandom Structure and Function Guided Synthesis Methods NUEVOLUTION A/S (DK) 2008-08-14 US disclosed
EP-1402024-B1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION AS (DK) 2007-08-22 EP 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-20080193983-A1 Quasirandom Structure and Function Guided Synthesis Methods PARN, POLN, NCL GABRA1 2657/4885GABRB2 1702/4885KDM4E 4797/4885

“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.