SCHEMBL13623244

SCHEMBL13623244

S=C=NCc1cc(CN=C=S)cc(CN=C=S)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MIF P14174 15/20 0.61
TRPA1 O75762 4/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.61
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2A13 Q16696 1/20 0.39
EPAS1 Q99814 1/20 0.39
NAAA Q02083 3/20 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
SCHEMBL17049997 0.88 MIF (0.50) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL28709411 0.85 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL483536 0.85 MIF (0.74) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL10432077 0.83 MIF (0.66) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2141861 0.82 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL29069340 0.78 MIF (0.69) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL3253628 0.78 MIF (0.57) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL10651510 0.76 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8763362 0.76 MIF (0.68) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL44145 0.76 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4516102-A1 PLANT STOMATAL OPENING REGULATOR NATIONAL UNIVERSITY CORPORATION TOKAI NATIONAL HIGHER EDUCATION AND RESEARCH SYSTEM (JP) 2025-03-05 EP disclosed
WO-2023210570-A1 PLANT STOMATAL OPENING REGULATOR 国立大学法人東海国立大学機構 2023-11-02 WO disclosed
WO-2023210570-A1 PLANT STOMATAL OPENING REGULATOR 国立大学法人東海国立大学機構 2023-11-02 WO disclosed
US-9586907-B2 Isothiocyanate compounds, pharmaceutical compositions, and uses thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-07 US disclosed
US-20150246887-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-09-03 US disclosed
US-8859798-B2 Isothiocyanate compounds, pharmaceutical compositions, and uses thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-14 US disclosed
US-8859798-B2 Isothiocyanate compounds, pharmaceutical compositions, and uses thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-14 US disclosed
US-20090291989-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-11-26 US disclosed
US-20090291989-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-11-26 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-20150246887-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF TST, TREH, NFATC1 MIF 545/4885TRPA1 93/4885ALDH1A1 1832/4885
US-20090291989-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF TST, TREH, NFATC1 MIF 545/4885TRPA1 93/4885ALDH1A1 1832/4885

“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.