SCHEMBL1710653

SCHEMBL1710653

Brc1cccc(SCCCCOCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MAOA P21397 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 1/20 0.39
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
CHRM3 P20309 1/20 0.37
NAAA Q02083 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL17364189 0.81 MAOA (0.55) MAOBMAOAL3MBTL1IDO1AGXT
SCHEMBL3390318 0.80 MAOA (0.45) MAOBMAOAHSP90AA1RXFP1HDAC1
SCHEMBL1710541 0.80 HTR6 (0.46) MAOATDP1L3MBTL1TSHRHRH4
SCHEMBL1582481 0.79 TSHR (0.44) MAOBMAOATDP1L3MBTL1TSHR
SCHEMBL1710624 0.78 CYP1A2 (0.53) MAOBMAOAHDAC1ALDH1A1MAPK1
SCHEMBL1710694 0.76 MAOA (0.47) MAOBMAOAL3MBTL1TSHRLMNA
SCHEMBL30753727 0.74 MAOA (0.58) MAOBMAOAL3MBTL1IDO1AGXT
SCHEMBL2640223 0.74 TSHR (0.70) TDP1L3MBTL1TSHRHRH4HRH3
SCHEMBL30418021 0.73 MAOA (0.51) MAOBMAOAL3MBTL1TSHRLMNA
SCHEMBL11546941 0.73 MAOA (0.47) MAOBMAOAL3MBTL1HSP90AA1RXFP1

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
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 MAOB 2402/4885MAOA 3658/4885TDP1 2438/4885

“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.