SCHEMBL3830992

SCHEMBL3830992

O=C(O)c1ccc(F)cc1N1CCSCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK10 P53779 1/20 0.39
GAA P10253 1/20 0.38
LGMN Q99538 1/20 0.38
NOTUM Q6P988 1/20 0.38
TTR P02766 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
KDM4E B2RXH2 2/20 0.36
AVPR1A P37288 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL29239530 0.88 GAA (0.46) KEAP1ALDH1A1HSD17B10ALOX15MAPK10
SCHEMBL3825337 0.84 GAA (0.50) KEAP1ALDH1A1HSD17B10GAAMAPT
SCHEMBL3824501 0.81 GAA (0.55) ALDH1A1ALOX15GAALMNAKDM4E
SCHEMBL6646093 0.81 HPGD (0.44) ALDH1A1GAALGMNNOTUMTTR
SCHEMBL225760 0.77 ALDH1A1 (0.50) ALDH1A1ALOX15GAATDP1L3MBTL1
SCHEMBL17119924 0.76 F2RL1 (0.46) KEAP1NOTUMKMT2AL3MBTL1
SCHEMBL17535830 0.73 SLC6A3 (0.44) ALDH1A1MAPK10MAPTKDM4EMEN1
SCHEMBL28965486 0.72 ALDH1A1 (0.57) KEAP1ALDH1A1HSD17B10ALOX15GAA
SCHEMBL11100186 0.72 MYC (0.53) ALDH1A1HSD17B10NOTUMLMNAMAPT
SCHEMBL11100139 0.72 KDM4E (0.56) ALDH1A1HSD17B10ALOX15GAALGMN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727551-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-09-09 EP disclosed
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection NOVARTIS PHARMACEUTICALS CORPORATION (US) 2008-06-12 US disclosed
US-20070185096-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-08-09 US disclosed
CN-1933841-A Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein ARROW THERAPEUTICS LTD (GB) 2007-03-21 CN disclosed
EP-1740185-A1 BENZODIAZEPINES FOR TREATING OR PREVENTING RSV INFECTION Arrow Therapeutics Limited (GB) 2007-01-10 EP disclosed
EP-1727551-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP disclosed
WO-2005089770-A1 BENZODIAZEPINES FOR TREATING OR PREVENTING OR PREVENTING RSV INFECTION ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO disclosed
WO-2005089771-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 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 (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-20070185096-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein GABRP, TSPO, GABRA1 KEAP1 3765/4885ALDH1A1 3840/4885HSD17B10 3109/4885
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection CNR1, CBR1, CBR3 KEAP1 1662/4885ALDH1A1 1328/4885HSD17B10 1026/4885

“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.