SCHEMBL4976471

SCHEMBL4976471

NSC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
SLC6A4 P31645 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC6A3 Q01959 1/20 0.50
DPP4 P27487 2/20 0.48
F2 P00734 1/20 0.48
TAAR1 Q96RJ0 3/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL19970042 0.86 IDO1 (0.53) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28072858 0.78 TSHR (0.46) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL776890 0.75 TSHR (0.48) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL775058 0.75 TSHR (0.48) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9955937 0.74 TDP1 (0.58) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3956655 0.73 TSHR (0.46) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8534439 0.72 DPP4 (0.43) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22115704 0.72 TAAR1 (0.46) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
Fluoride SCHEMBL28760653 0.72 TDP1 (0.56) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23713651 0.71 TSHR (0.44) TSHRCYP1A2CYP3A4CYP2D6CYP2C9

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-7345188-B2 Process for preparing benzhydrylthioacetamide MALLINCKRODT INC. (US) 2008-03-18 US disclosed
US-20080027240-A1 Process for Preparing Benzhydrylthioacetamide MALLINCKRODT US POOL LLC 2008-01-31 US disclosed
EP-1678129-A1 IMPROVED PROCESS FOR PREPARING BENZHYDRYLTHIOACETAMIDE MALLINCKRODT INC. (US) 2006-07-12 EP disclosed
WO-2005042479-A1 IMPROVED PROCESS FOR PREPARING BENZHYDRYLTHIOACETAMIDE MALLINCKRODT INC. (US) 2005-05-12 WO 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-20080027240-A1 Process for Preparing Benzhydrylthioacetamide ABAT, NUDT1, OTC TSHR 120/4885CYP1A2 631/4885CYP3A4 30/4885

“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.