SCHEMBL5857485

SCHEMBL5857485

[O]C(=O)c1ccc(CCN2CCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.57
KCNJ1 P48048 5/20 0.57
SIGMAR1 Q99720 3/20 0.53
SLC6A4 P31645 2/20 0.51
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HTR2A P28223 3/20 0.47
HTR2C P28335 2/20 0.47
HTR7 P34969 2/20 0.47
HTR6 P50406 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
MBTD1 Q05BQ5 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL5857488 0.87 KCNH2 (0.57) KCNH2KCNJ1SIGMAR1SLC6A4SLC6A2
SCHEMBL5858316 0.83 SIGMAR1 (0.58) KCNH2SIGMAR1MEN1KMT2AHRH3
SCHEMBL5858631 0.82 SIGMAR1 (0.51) KCNH2KCNJ1SIGMAR1HTR2AHTR2C
SCHEMBL28403717 0.82 KCNJ1 (0.52) KCNH2KCNJ1SIGMAR1SLC6A4
SCHEMBL10900445 0.81 KCNH2 (0.57) KCNH2KCNJ1SIGMAR1SLC6A4SLC6A2
SCHEMBL10899595 0.81 KCNH2 (0.57) KCNH2KCNJ1SIGMAR1SLC6A4SLC6A2
SCHEMBL10900943 0.80 KCNH2 (0.66) KCNH2KCNJ1SIGMAR1SLC6A4HRH3
SCHEMBL3634794 0.80 KCNH2 (0.59) KCNH2KCNJ1SIGMAR1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL10901510 0.79 KCNH2 (0.65) KCNH2KCNJ1SIGMAR1HRH3
SCHEMBL10900908 0.78 SIGMAR1 (0.67) KCNH2KCNJ1SIGMAR1HDAC4HDAC1

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
US-7125906-B2 Indole derivatives having anti-angiogenetic activity ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-7030123-B2 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2006-04-18 US disclosed
US-20050159474-A1 Angiogenesis inhibitors for cardiovascular disorders, neovascularization ASTRAZENECA AB (SE) 2005-07-21 US disclosed
EP-1515716-A2 INDOLE DERIVATIVES HAVING ANTI-ANGIOGENETIC ACTIVITY Astrazeneca AB (SE) 2005-03-23 EP disclosed
US-20030216356-A1 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2003-11-20 US disclosed
WO-2003082271-A2 INDOLE DERIVATIVES HAVING ANTI-ANGIOGENETIC ACTIVITY ASTRAZENECA AB (SE) 2003-10-09 WO disclosed
EP-1289952-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY AstraZeneca AB (SE) 2003-03-12 EP disclosed
WO-2001092224-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY ASTRAZENECA AB (SE) 2001-12-06 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-20050159474-A1 Angiogenesis inhibitors for cardiovascular disorders, neovascularization FLT1, FLT4, VEGFA KCNH2 2673/4885KCNJ1 2623/4885SIGMAR1 2389/4885
US-20030216356-A1 Indole derivatives with vascular damaging activity IDO1, IDO2, VEGFA KCNH2 939/4885KCNJ1 2400/4885SIGMAR1 527/4885

“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.