SCHEMBL3824236

SCHEMBL3824236

CCn1c(=O)n(Cc2nc3ccccc3n2CCCCO)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
KDM4E B2RXH2 1/20 0.54
POLB P06746 2/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
USP2 O75604 1/20 0.48
RECQL P46063 1/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL16696117 0.78 CYP3A4 (0.44) CYP3A4KDM4EPOLBTSHRALDH1A1
SCHEMBL3824141 0.77 ALDH1A1 (0.54) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL7746055 0.76 CYP3A4 (0.72) CYP3A4KDM4EPOLBTSHRALDH1A1
SCHEMBL29413237 0.74 CYP3A4 (1.00) CYP3A4KDM4EPOLBTSHRMEN1
SCHEMBL3822776 0.74 CYP3A4 (1.00) CYP3A4KDM4EPOLBTSHRMEN1
SCHEMBL9597357 0.73 TP53 (0.65) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL1520593 0.72 SMN1; SMN2 (0.64) KDM4EPOLBTSHRALDH1A1MEN1
SCHEMBL10389744 0.72 LMNA (0.62) TSHRALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL3824637 0.72 TSHR (0.48) CYP3A4POLBTSHRALDH1A1MEN1
SCHEMBL9598599 0.72 TP53 (0.63) POLBTSHRALDH1A1MEN1KMT2A

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 12 patents. 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-1727551-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-09-09 EP claimed
EP-1727550-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-07-29 EP claimed
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 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
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 claimed
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 disclosed
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
EP-1727550-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-07-29 EP 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
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 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

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 CYP3A4 170/4885KDM4E 4254/4885POLB 2357/4885
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein GABRP, TSPO, GABRA1 CYP3A4 170/4885KDM4E 4254/4885POLB 2357/4885

“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.