SCHEMBL3395948

SCHEMBL3395948

O=C(O)c1cc(N=C=S)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
KDR P35968 2/20 0.70
PDE4A P27815 1/20 0.70
BLVRB P30043 1/20 0.70
HTT P42858 1/20 0.70
TDP1 Q9NUW8 4/20 0.62
THRB P10828 2/20 0.62
RECQL P46063 2/20 0.62
APP P05067 1/20 0.62
BLM P54132 1/20 0.62
ALDH1A1 P00352 3/20 0.54
PTGS2 P35354 3/20 0.54
CYP2C9 P11712 2/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP2C19 P33261 2/20 0.54
PHLPP2 Q6ZVD8 2/20 0.54
PTGS1 P23219 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL3399131 0.86 ALDH1A1 (0.50) MEN1KMT2AKDRPDE4ABLVRB
SCHEMBL9064961 0.85 MEN1 (0.48) MEN1KMT2AKDRPDE4ABLVRB
Olsalazine SCHEMBL2628413 0.83 MEN1 (1.00) MEN1KMT2AKDRPDE4ABLVRB
Olsalazine SCHEMBL25119 0.83 MEN1 (1.00) MEN1KMT2AKDRPDE4ABLVRB
Olsalazine SCHEMBL29861404 0.83 MEN1 (1.00) MEN1KMT2AKDRPDE4ABLVRB
Olsalazine SCHEMBL29385751 0.83 MEN1 (1.00) MEN1KMT2AKDRPDE4ABLVRB
Olsalazine SCHEMBL29378994 0.83 MEN1 (1.00) MEN1KMT2AKDRPDE4ABLVRB
Olsalazine SCHEMBL25118 0.83 MEN1 (1.00) MEN1KMT2AKDRPDE4ABLVRB
Olsalazine SCHEMBL5922630 0.81 MEN1 (0.96) MEN1KMT2AKDRPDE4ABLVRB
Olsalazine SCHEMBL2228872 0.81 MEN1 (0.96) MEN1KMT2AKDRPDE4ABLVRB

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 MEN1 4223/4885KMT2A 1238/4885KDR 2461/4885

“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.