SCHEMBL2697490

SCHEMBL2697490

CN(C=O)c1ccccc1[NH]

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHEK1 O14757 1/20 0.32
NEK2 P51955 1/20 0.32
LIMK1 P53667 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PABPC1 P11940 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL2093826 0.76 ALDH1A1 (0.43) MAPTALDH1A1TP53GAATSHR
SCHEMBL2090253 0.74 C1R (0.37) MAPTALDH1A1TP53GAATSHR
SCHEMBL12651732 0.74 LMNA (0.50) MAPTALDH1A1TP53GAATSHR
SCHEMBL25939297 0.74 TRIM24 (0.41) MAPTALDH1A1TP53GAATSHR
SCHEMBL9462171 0.74 MAPT (0.33) MAPTALDH1A1TP53GAATSHR
SCHEMBL2089948 0.74 ALDH1A1 (0.38) MAPTALDH1A1TP53GAATSHR
SCHEMBL2697491 0.74 CHEK1 (0.41) MAPTALDH1A1TP53GAATSHR
SCHEMBL2092841 0.74 ACHE (0.36) MAPTALDH1A1TP53GAATSHR
SCHEMBL1037466 0.74 CHEK1 (0.48) MAPTALDH1A1TP53GAATSHR
SCHEMBL7717253 0.72 ALDH1A1 (0.32) MAPTALDH1A1TP53GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772502-B2 Alkylsulfinyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2014-07-08 US claimed
EP-2635124-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS Romark Laboratories, L.C. (US) 2013-09-11 EP claimed
WO-2012061190-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. (US) 2012-05-10 WO claimed
WO-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 WO claimed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 US claimed
US-20120108591-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-03 US claimed
US-8772502-B2 Alkylsulfinyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2014-07-08 US disclosed
EP-2635124-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS Romark Laboratories, L.C. (US) 2013-09-11 EP disclosed
WO-2012061190-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. (US) 2012-05-10 WO disclosed
WO-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 WO disclosed
US-20120108591-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-03 US disclosed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 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-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES PYGL, GYS2, GLS2 MAPT 3233/4885ALDH1A1 533/4885TP53 281/4885
US-20120108591-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, HCCS MAPT 4209/4885ALDH1A1 1483/4885TP53 937/4885

“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.