SCHEMBL16674489

SCHEMBL16674489

[N-]=[N+]=NCCCCc1ccc(CCCCN=[N+]=[N-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.49
▸ MIF P14174 2/20 0.39
▸ NAAA Q02083 4/20 0.38
▸ MAOB P27338 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ ADRA2A P08913 2/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ TACR2 P21452 2/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SHBG P04278 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL21084402 0.93 ADRB2 (0.48) ADRB2MIFNAAAMAOBIGF1R
SCHEMBL26316554 0.92 ADRB2 (0.48) ADRB2IGF1RALOX15
SCHEMBL14080220 0.90 ADRB2 (0.44) ADRB2MIFNAAACYP3A4
SCHEMBL30148114 0.90 ADRB2 (0.44) ADRB2MIFNAAAHTR2A
SCHEMBL15907593 0.89 MIF (0.53) ADRB2MIFNAAAMAOB
SCHEMBL13698943 0.87 NAAA (0.55) MIFNAAAMAOB
SCHEMBL28384138 0.87 NAAA (0.55) MIFNAAAMAOB
SCHEMBL15994916 0.87 NAAA (0.55) MIFNAAAMAOB
SCHEMBL26661891 0.87 NAAA (0.55) MIFNAAAMAOB
SCHEMBL21806520 0.87 ADRB2 (0.42) ADRB2MIFNAAAALDH1A1PDPK1

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-9730976-B2 Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers BIONTECH AG (DE) 2017-08-15 — — US disclosed
US-9730976-B2 Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers BIONTECH AG (DE) 2017-08-15 — — US disclosed
US-20160317605-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BIONTECH AG (DE) 2016-11-03 — — US disclosed
US-20160317605-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BIONTECH AG (DE) 2016-11-03 — — US disclosed
US-9321808-B2 Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers BIONTECH AG (DE) 2016-04-26 — — US disclosed
US-9321808-B2 Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers BIONTECH AG (DE) 2016-04-26 — — US disclosed
US-20150119342-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-04-30 — — US disclosed
US-20150119342-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-04-30 — — US 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-20160317605-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BID, BIRC2, API5 ADRB2 4706/4885MIF 2795/4885NAAA 3036/4885
US-20150119342-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BID, BIRC2, API5 ADRB2 4706/4885MIF 2795/4885NAAA 3036/4885

“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.

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