SCHEMBL3825337

SCHEMBL3825337

O=C(O)c1ccc(F)cc1N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTPN1 P18031 2/20 0.46
CSF1R P07333 1/20 0.44
IP6K1 Q92551 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
KEAP1 Q14145 1/20 0.43

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
SCHEMBL23611740 0.87 ALDH1A1 (0.60) GAAALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL29930952 0.87 ALDH1A1 (0.60) GAAALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL3085532 0.85 NPC1 (0.61) GAAALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL28965486 0.85 ALDH1A1 (0.57) GAAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL3830992 0.84 KEAP1 (0.41) GAAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL3824501 0.84 GAA (0.55) GAAALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL6646051 0.80 GAA (0.51) GAAALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL6646771 0.80 GAA (0.51) GAAALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL6646300 0.80 MYC (0.55) GAAALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL3824202 0.80 ALDH1A1 (0.51) ALDH1A1HTTSMN1; SMN2MAPTKDM4E

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
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
CN-1929848-A Benzodiazepines for treating or preventing or preventing RSV infection ARROW THERAPEUTICS LTD (GB) 2007-03-14 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 GAA 2238/4885ALDH1A1 3840/4885HTT 3035/4885
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection CNR1, CBR1, CBR3 GAA 3959/4885ALDH1A1 1328/4885HTT 2576/4885

“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.