SCHEMBL16347227

SCHEMBL16347227

c1csc(Cc2cccn2Cc2cccs2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
DRD4 P21917 5/20 0.39
DRD5 P21918 2/20 0.39
DRD3 P35462 3/20 0.38
TAAR1 Q96RJ0 1/20 0.37
ADRA1D P25100 2/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 2/20 0.36
TDP1 Q9NUW8 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
SCHEMBL13120839 0.72 ALDH1A1 (0.41) HTTKDM4ETSHRTAAR1MEN1
SCHEMBL11334754 0.72 ALDH1A1 (0.47) HTTKDM4ETSHRDRD4DRD5
SCHEMBL924028 0.71 TSHR (0.54) HTTTSHRDRD4DRD5DRD3
SCHEMBL9022900 0.71 CYP2C19 (0.49) HTTTSHRDRD4DRD3ALDH1A1
SCHEMBL559559 0.71 TAAR1 (0.56) HTTTSHRTAAR1ADRA1DALDH1A1
SCHEMBL11326618 0.70 CYP2C19 (0.45) HTTTSHRMEN1ALDH1A1MAPT
SCHEMBL27568476 0.69 ALDH1A1 (0.41) HTTKDM4ETSHRDRD4DRD5
SCHEMBL448303 0.69 HTT (0.50) HTTKDM4ETSHRDRD4DRD5
SCHEMBL13120841 0.67 RECQL (0.53) HTTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL11598519 0.67 HPGD (0.56) KDM4ETSHRMAPTKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011749-A1 USE OF CERTAIN METAL-ACCUMULATING PLANTS FOR THE PERFORMANCE OF ORGANIC CHEMISTRY REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-01-08 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-20150011749-A1 USE OF CERTAIN METAL-ACCUMULATING PLANTS FOR THE PERFORMANCE OF ORGANIC CHEMISTRY REACTIONS ME1, OSGEP, AGL HTT 3735/4885KDM4E 3624/4885TSHR 4568/4885

“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.