SCHEMBL2347951

SCHEMBL2347951

FC(F)(F)c1cccc(NC(=S)NCc2ccc3c(c2)OCO3)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.66
HPGD P15428 4/20 0.66
LMNA P02545 4/20 0.66
NPSR1 Q6W5P4 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
MAPT P10636 6/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
HTT P42858 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
ALOX12 P18054 3/20 0.62
NPY1R P25929 1/20 0.62
NPY2R P49146 1/20 0.62
GAA P10253 2/20 0.61
ACHE P22303 1/20 0.61
BLM P54132 1/20 0.58

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
SCHEMBL22289498 0.80 MAPT (1.00) ALDH1A1HPGDLMNANPSR1L3MBTL1
SCHEMBL6815734 0.76 ALDH1A1 (0.77) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL14433945 0.76 ALDH1A1 (0.70) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL11642147 0.76 MAPT (0.79) ALDH1A1HPGDLMNANPSR1L3MBTL1
SCHEMBL7640817 0.76 ALDH1A1 (0.73) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL6077972 0.75 SMN1; SMN2 (0.58) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL10220635 0.75 CCR2 (0.74) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL26485834 0.74 LMNA (0.71) ALDH1A1HPGDLMNANPSR1L3MBTL1
SCHEMBL26491226 0.74 MAPT (1.00) ALDH1A1HPGDLMNANPSR1L3MBTL1
SCHEMBL26491103 0.74 MAPT (0.77) ALDH1A1HPGDLMNANPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642647-B2 N1-benzo[1,3]dioxol-5-ylmethyl-N2-substituted biguanide derivative, preparation method thereof, and pharmaceutical composition containing same HANALL BIOPHARMA CO., LTD. (KR) 2014-02-04 US disclosed
US-20110207810-A1 N1-BENZO[1,3]DIOXOL-5-YLMETHYL-N2-SUBSTITUTED BIGUANIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME HANALL BIOPHARMA CO., LTD. (KR) 2011-08-25 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-20110207810-A1 N1-BENZO[1,3]DIOXOL-5-YLMETHYL-N2-SUBSTITUTED BIGUANIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME BRCA1, TP53, SLC5A1 ALDH1A1 1560/4885HPGD 3296/4885LMNA 715/4885

“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.