SCHEMBL14807963

SCHEMBL14807963

O=C(NC(=S)Nc1cccc(C(F)(F)F)c1F)c1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.63
▸ ALOX12 P18054 5/20 0.63
▸ MAPT P10636 5/20 0.63
▸ NPSR1 Q6W5P4 3/20 0.63
▸ PLA2G1B P04054 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ ATG4B Q9Y4P1 1/20 0.57
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ LMNA P02545 3/20 0.54
▸ GAA P10253 3/20 0.52
▸ CCR6 P51684 2/20 0.52
▸ PTGS1 P23219 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ P2RX1 P51575 1/20 0.49

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
SCHEMBL3059371 0.77 ALDH1A1 (0.74) ALDH1A1ALOX12MAPTNPSR1PLA2G1B
SCHEMBL5455469 0.77 ALDH1A1 (0.80) ALDH1A1ALOX12MAPTNPSR1PLA2G1B
SCHEMBL28633823 0.77 PTGS1 (0.72) ALDH1A1ALOX12MAPTNPSR1MEN1
SCHEMBL30136206 0.77 PTGS1 (0.72) ALDH1A1ALOX12MAPTNPSR1MEN1
SCHEMBL3056877 0.75 LMNA (0.64) ALDH1A1ALOX12MAPTNPSR1MEN1
SCHEMBL3053908 0.74 ALDH1A1 (0.63) ALDH1A1ALOX12MAPTNPSR1MEN1
SCHEMBL14096446 0.74 ALDH1A1 (0.69) ALDH1A1ALOX12MAPTNPSR1MEN1
SCHEMBL20577772 0.74 PTGS1 (0.80) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL15777156 0.73 AKT1 (0.61) ALDH1A1ALOX12MAPTNPSR1PLA2G1B
SCHEMBL11163778 0.73 ALDH1A1 (0.65) ALDH1A1ALOX12MAPTNPSR1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011528-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OF ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2015-01-08 — — US disclosed
EP-2758384-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OR ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Yuhan Corporation (KR) 2014-07-30 — — EP disclosed
WO-2013043001-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OR ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2013-03-28 — — 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-20150011528-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OF ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ILK, PKMYT1, PLAUR ALDH1A1 3792/4885ALOX12 4277/4885MAPT 813/4885

“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.

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