SCHEMBL5357565

SCHEMBL5357565

CC(N=C=S)c1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.55
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
TSHR P16473 2/20 0.47
POLB P06746 3/20 0.39
TRPV1 Q8NER1 3/20 0.34
TRPA1 O75762 2/20 0.34
HPGD P15428 4/20 0.34
LMNA P02545 4/20 0.34
CA2 P00918 2/20 0.34
CYP3A4 P08684 2/20 0.34
BLM P54132 2/20 0.34
HIF1A Q16665 2/20 0.34
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CYP1A2 P05177 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL332408 0.86 MIF (0.65) MIFGABRA1GABRB2TSHRTRPV1
SCHEMBL22444496 0.81 GABRA1 (0.52) MIFGABRA1GABRB2TSHRPOLB
SCHEMBL8855753 0.76 MIF (0.53) MIFGABRA1GABRB2TRPV1TRPA1
SCHEMBL4199089 0.75 GABRA1 (0.60) GABRA1GABRB2TSHRPOLBTRPV1
SCHEMBL3890926 0.74 MIF (0.52) MIFHPGDCYP3A4CYP1A2HTR2B
SCHEMBL3886974 0.74 MIF (0.52) MIFHPGDCYP3A4CYP1A2HTR2B
SCHEMBL3886978 0.74 MIF (0.52) MIFHPGDCYP3A4CYP1A2HTR2B
1-Phenylethyl Isothiocyanate SCHEMBL3792824 0.71 MIF (1.00) MIFTSHRPOLBTRPV1TRPA1
1-Phenylethyl Isothiocyanate SCHEMBL3795180 0.71 MIF (1.00) MIFTSHRPOLBTRPV1TRPA1
1-Phenylethyl Isothiocyanate SCHEMBL156959 0.71 MIF (1.00) MIFTSHRPOLBTRPV1TRPA1

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
US-7312326-B2 Fluorescent labeled nucleotide derivatives BECKMAN COULTER, INC. (US) 2007-12-25 US disclosed
EP-1732989-A1 FLUORESCENT LABELED NUCLEOTIDE DERIVATIVES Beckman Coulter, Inc. (US) 2006-12-20 EP disclosed
WO-2005103162-A1 FLUORESCENT LABELED NUCLEOTIDE DERIVATIVES BECKMAN COULTER, INC. (US) 2005-11-03 WO disclosed
US-20050227240-A1 Fluorescent labeled nucleotide derivatives BECKMAN COULTER, INC. 2005-10-13 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-20050227240-A1 Fluorescent labeled nucleotide derivatives RNGTT, DNTT, POLRMT MIF 4143/4885GABRA1 3914/4885GABRB2 3875/4885

“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.