Sugi Predict

Sugi Predict / Compounds / SCHEMBL643308

SCHEMBL643308

SCHEMBL643308

O=C(O)c1cc(F)cc2c1OCOC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ CXCR5 P32302 1/20 0.58
▸ RAB9A P51151 3/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ PARP1 P09874 4/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ GALR3 O60755 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ F11 P03951 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ PLIN1 O60240 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PLIN5 Q00G26 1/20 0.38
▸ ABHD5 Q8WTS1 1/20 0.38
▸ KEAP1 Q14145 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
SCHEMBL31258843 1.00 ALDH1A1 (0.60) ALDH1A1KDM4ECXCR5RAB9ATDP1
Hydrochloric Acid SCHEMBL4260079 0.98 ALDH1A1 (0.59) ALDH1A1KDM4ECXCR5RAB9ATDP1
SCHEMBL14192672 0.86 ALDH1A1 (0.59) ALDH1A1KDM4ECXCR5RAB9ATDP1
SCHEMBL4638491 0.86 PARP1 (0.65) ALDH1A1KDM4ECXCR5RAB9ATDP1
SCHEMBL4260072 0.86 ALDH1A1 (0.59) ALDH1A1KDM4ECXCR5RAB9ATDP1
SCHEMBL15372279 0.83 KDM4E (0.56) ALDH1A1KDM4ECXCR5RAB9ATDP1
SCHEMBL18317380 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ECXCR5RAB9ATDP1
SCHEMBL3415654 0.77 ALDH1A1 (0.47) ALDH1A1KDM4ECXCR5RAB9ATDP1
SCHEMBL29089219 0.77 PARP1 (0.76) ALDH1A1KDM4ECXCR5PARP1NPSR1
SCHEMBL1525798 0.77 ALDH1A1 (0.49) ALDH1A1KDM4ECXCR5RAB9ATDP1

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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853204-B2 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the RSV fusion protein ARROW THERAPEUTICS LIMITED (GB) 2014-10-07 — — US claimed
EP-2160387-B1 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI SA (FR) 2014-05-14 — — EP claimed
US-8598175-B2 Heteroarylamide pyrimidone derivatives SANOFI (FR) 2013-12-03 — — US claimed
US-8592437-B2 Heteroarylamide pyrimidone compounds SANOFI (FR) 2013-11-26 — — US claimed
EP-2162443-B1 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI SA (FR) 2013-07-31 — — EP claimed
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 — — US claimed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 — — US claimed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 — — EP claimed
EP-2247598-A1 SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-11-10 — — EP claimed
EP-2238140-A2 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-10-13 — — EP claimed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 — — WO claimed
US-20070293482-A1 Process for Preparing Benzodiazepines NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-12-20 — — US claimed
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALA CORPORATION (US) 2007-06-21 — — US claimed
EP-1727550-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 — — EP claimed
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2006-02-23 — — US claimed
JP-2006503054-A — — 2006-01-26 — — JP claimed
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 — — WO claimed
WO-2005089769-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBIT OR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 — — WO claimed
EP-1539716-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Arrow Therapeutics Limited (GB) 2005-06-15 — — EP claimed
WO-2004026843-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ARROW THERAPEUTICS LIMITED (GB) 2004-04-01 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR ALDH1A1 690/4885KDM4E 3641/4885CXCR5 368/4885
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them GABRA6, CNR1, SIGMAR1 ALDH1A1 2127/4885KDM4E 3634/4885CXCR5 714/4885
US-20070293482-A1 Process for Preparing Benzodiazepines CNR1, SIGMAR1, GABRA3 ALDH1A1 1301/4885KDM4E 3243/4885CXCR5 713/4885
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein GABRP, TSPO, GABRA1 ALDH1A1 3840/4885KDM4E 4254/4885CXCR5 2598/4885

“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.