SCHEMBL3592598

SCHEMBL3592598

O=C1CCOc2cc(SC(F)(F)F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.54
MAOA P21397 1/20 0.54
GRM5 P41594 9/20 0.47
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHEK1 O14757 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL10363838 0.88 MAOB (0.43) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL2223184 0.83 MAOB (0.58) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL20165396 0.83 MAOB (0.63) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL9076881 0.82 MAOB (0.62) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL3900510 0.80 MAOB (0.58) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL69391 0.80 MAOB (0.58) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL5114795 0.80 MAOB (0.58) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL3603682 0.77 ALDH1A1 (0.36) MAOBMAOAGRM5ALDH1A1
SCHEMBL29758931 0.76 MAOB (0.58) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL1452071 0.76 MAOB (0.58) MAOBMAOAGRM5NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed
EP-0212428-B1 DIHYDROBENZO/B /THIOPHENES AND PHARMACEUTICAL COMPOSITIONS THEREOF USEFUL AS ANTIFUNGALS SCHERING CORPORATION (US) 1990-06-06 EP disclosed
US-4731364-A Dihydrobenzo(B)thiophenes and pharmaceutical compositions thereof useful as antifungals SCHERING CORPORATION (US) 1988-03-15 US disclosed
EP-0212428-A1 Dihydrobenzo/b /thiophenes and pharmaceutical compositions thereof useful as antifungals SCHERING CORPORATION (US) 1987-03-04 EP disclosed
EP-0054233-B1 NOVEL BENZO(B)THIOPHENES, BENZO(B)FURANS, THIOCHROMANS AND CHROMANS, PROCESSES FOR THEIR PREPARATION AND ANTIMICROBIAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-09-24 EP disclosed
US-4468404-A MICROBIOCIDES SCHERING CORPORATION (US) 1984-08-28 US disclosed
US-4352808-A FUNGICIDES, BACTERICIDES, ANTIPROTOZOA AGENTS SCHERING CORPORATION (US) 1982-10-05 US disclosed
EP-0054233-A1 Novel benzo(b)thiophenes, benzo(b)furans, thiochromans and chromans, processes for their preparation and antimicrobial compositions containing them SCHERING CORPORATION (US) 1982-06-23 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 MAOB 1349/4885MAOA 1461/4885GRM5 2973/4885

“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.