SCHEMBL4304944

SCHEMBL4304944

Cc1ccc([N+](=O)[O-])c(C(=O)S)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GPR35 Q9HC97 1/20 0.44
DTYMK P23919 1/20 0.44
KCNMA1 Q12791 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9542579 0.86 TSHR (0.58) TSHRCYP3A4MAPTPOLBALDH1A1
SCHEMBL28395903 0.85 TSHR (0.62) TSHRCYP3A4MAPTPOLBALDH1A1
SCHEMBL1277039 0.84 TSHR (0.60) TSHRCYP3A4MAPTPOLBALDH1A1
SCHEMBL29935450 0.84 DTYMK (0.62) TSHRCYP3A4MAPTPOLBALDH1A1
SCHEMBL149316 0.84 DTYMK (0.62) TSHRCYP3A4MAPTPOLBALDH1A1
Hydrochloric Acid SCHEMBL3730916 0.82 DTYMK (0.60) TSHRCYP3A4MAPTPOLBALDH1A1
SCHEMBL688229 0.82 TSHR (0.58) TSHRCYP3A4MAPTPOLBALDH1A1
SCHEMBL8446509 0.82 DTYMK (0.60) TSHRCYP3A4MAPTPOLBALDH1A1
SCHEMBL11048087 0.82 DTYMK (0.60) TSHRCYP3A4MAPTPOLBALDH1A1
SCHEMBL8446508 0.82 TSHR (0.58) TSHRCYP3A4MAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9546401-B2 Assays and methods for selecting a treatment regimen for a subject with depression NESTEC S.A. (CH) 2017-01-17 US disclosed
US-20130267523-A1 ASSAYS AND METHODS FOR SELECTING A TREATMENT REGIMEN FOR A SUBJECT WITH DEPRESSION ALFASIGMA S.P.A. (IT) 2013-10-10 US disclosed
US-8344115-B2 Immunoassay for specific determination of S-adenosylmethionine and analogs thereof in biological samples HAO, XIUJUAN 2013-01-01 US disclosed
WO-2009131643-A1 IMMUNOASSAY FOR SPECIFIC DETERMINATION OF S-ADENOSYMETHIONINE AND ANALOGS THEREOF IN BIOLOGICAL SAMPLES MONABIO, INC. (US) 2009-10-29 WO disclosed
US-20090263879-A1 Immunoassay for specific determination of S-adenosylmethionine and analogs thereof in biological samples HAO, XIUJUAN 2009-10-22 US disclosed
US-4348396-A Substituted 11-oxo-11H-pyrido[2,1-b]quinazolines and method of inhibiting allergic reactions with them HOFFMANN-LA ROCHE INC. (US) 1982-09-07 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-20090263879-A1 Immunoassay for specific determination of S-adenosylmethionine and analogs thereof in biological samples AHCY, MAT2A, MAT1A TSHR 1695/4885CYP3A4 838/4885MAPT 4136/4885

“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.