SCHEMBL3398682

SCHEMBL3398682

O=C(O)c1ccc2cc(N=C=S)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 2/20 0.41
RARB P10826 5/20 0.41
RARG P13631 5/20 0.41
RARA P10276 4/20 0.41
CYP26A1 O43174 2/20 0.41
CYP26B1 Q9NR63 2/20 0.41
RAD1 O60671 1/20 0.40
P2RY6 Q15077 1/20 0.40
PTPN1 P18031 1/20 0.40
MIF P14174 1/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ENPP2 Q13822 1/20 0.39
RNASEH1 O60930 1/20 0.38
PTPN11 Q06124 1/20 0.38
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL455561 0.81 MIF (0.54) MEN1KMT2AHSD17B10P2RY6MIF
SCHEMBL31700780 0.80 TRPA1 (0.62) KDM4EMEN1KMT2APTPN1TRPA1
SCHEMBL27517752 0.80 MIF (0.52) MEN1KMT2AHSD17B10P2RY6MIF
SCHEMBL687302 0.79 MIF (0.52) KDM4EMEN1KMT2AHSD17B10PTPN1
SCHEMBL29359975 0.77 KDM4E (0.68) KDM4EMEN1KMT2AHSD17B10RARB
SCHEMBL29594563 0.77 KDM4E (0.68) KDM4EMEN1KMT2AHSD17B10RARB
SCHEMBL6916181 0.77 KDM4E (0.68) KDM4EMEN1KMT2AHSD17B10RARB
SCHEMBL18758 0.77 KDM4E (0.68) KDM4EMEN1KMT2AHSD17B10RARB
SCHEMBL31700912 0.76 TRPA1 (0.67) KDM4EMEN1KMT2ATRPA1ALDH1A1
Paraben SCHEMBL6755103 0.75 CA2 (0.59) MEN1KMT2AHSD17B10P2RY6MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101965331-B Method for producing isothiocyanate compound having carboxyl group NISSAN CHEMICAL IND LTD 2014-04-16 CN disclosed
US-8367857-B2 Method for producing isothiocyanate compound having carboxyl group NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-05 US disclosed
CN-101965331-A Method for producing isothiocyanate compound having carboxyl group NISSAN CHEMICAL IND LTD 2011-02-02 CN disclosed
US-20100312000-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2010-12-09 US disclosed
EP-2248800-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP Nissan Chemical Industries, Ltd. (JP) 2010-11-10 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-20100312000-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP CBS, CTH, TST KDM4E 2885/4885MEN1 4223/4885KMT2A 1238/4885

“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.