SCHEMBL3823637

SCHEMBL3823637

O=C(O)c1ccc(N2CCS(=O)(=O)CC2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
MYC P01106 1/20 0.51
NR4A1 P22736 1/20 0.51
FAAH O00519 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
ALDH1A1 P00352 3/20 0.46
IP6K1 Q92551 1/20 0.44
AVPR2 P30518 3/20 0.41
ABHD6 Q9BV23 1/20 0.41
MAPT P10636 2/20 0.40
GFER P55789 1/20 0.40
NOTUM Q6P988 1/20 0.40
RAB9A P51151 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL3827823 0.88 KDM4E (0.58) KDM4EFAAHTSHRALDH1A1IP6K1
SCHEMBL15923351 0.84 MYC (0.57) KDM4EMYCNR4A1SMN1; SMN2TSHR
SCHEMBL3119554 0.84 IP6K1 (0.61) KDM4EMYCNR4A1SMN1; SMN2TSHR
SCHEMBL15923279 0.83 RAB9A (0.56) MYCNR4A1SMN1; SMN2TSHRCASP1
SCHEMBL2301042 0.83 IP6K1 (0.59) KDM4EMYCNR4A1SMN1; SMN2TSHR
SCHEMBL2088694 0.80 ACLY (0.57) KDM4EMYCNR4A1SMN1; SMN2TSHR
SCHEMBL14080465 0.80 ADRB1 (0.63) KDM4EMYCNR4A1SMN1; SMN2TSHR
SCHEMBL23455371 0.80 KDM4E (0.54) KDM4EFAAHALDH1A1ABHD6MAPT
Hydrochloric Acid SCHEMBL4890076 0.79 ACLY (0.56) KDM4EMYCNR4A1SMN1; SMN2CASP1
Hydrochloric Acid SCHEMBL15929282 0.79 ADRB1 (0.61) KDM4EMYCNR4A1SMN1; SMN2TSHR

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 KDM4E 4254/4885MYC 797/4885NR4A1 638/4885
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection CNR1, CBR1, CBR3 KDM4E 3844/4885MYC 2017/4885NR4A1 147/4885

“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.