SCHEMBL5857488

SCHEMBL5857488

O=C(O)c1ccc(CCN2CCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.57
KCNJ1 P48048 1/20 0.57
SIGMAR1 Q99720 4/20 0.53
EBP Q15125 1/20 0.52
SLC6A4 P31645 2/20 0.51
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
DHCR7 Q9UBM7 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
HTR2A P28223 2/20 0.47
KDM5C P41229 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
OPRD1 P41143 1/20 0.47
HRH1 P35367 1/20 0.45
HDAC4 P56524 1/20 0.44

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
SCHEMBL10900908 0.91 SIGMAR1 (0.67) KCNH2KCNJ1SIGMAR1HRH1HDAC4
SCHEMBL5857485 0.87 KCNH2 (0.57) KCNH2KCNJ1SIGMAR1SLC6A4SLC6A2
SCHEMBL7772142 0.85 SLC6A3 (0.61) KCNH2SIGMAR1EBPSLC6A3DHCR7
SCHEMBL10899595 0.84 KCNH2 (0.57) KCNH2KCNJ1SIGMAR1SLC6A4SLC6A2
SCHEMBL10900445 0.84 KCNH2 (0.57) KCNH2KCNJ1SIGMAR1SLC6A4SLC6A2
SCHEMBL7031548 0.83 HRH3 (0.62) KCNH2SIGMAR1EBPSLC6A3DHCR7
SCHEMBL2741683 0.83 HRH3 (0.62) KCNH2SIGMAR1EBPSLC6A3DHCR7
Hydrochloric Acid SCHEMBL7447525 0.83 SLC6A3 (0.59) KCNH2SIGMAR1EBPSLC6A3DHCR7
SCHEMBL1160126 0.83 SIGMAR1 (0.62) KCNH2SIGMAR1MEN1KMT2AHRH3
SCHEMBL10902405 0.83 MEN1 (0.67) KCNH2SIGMAR1EBPSLC6A3MEN1

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
CN-102203280-A Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS INC 2011-09-28 CN disclosed
CN-102056890-A Polymerizable type II photoinitiators and curable compositions AGFA GRAPHICS NV 2011-05-11 CN disclosed
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
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed
EP-0076996-A1 Carboxylic-acid derivatives, process for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1983-04-20 EP 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.