SCHEMBL1357487

SCHEMBL1357487

c1ccc(Oc2cccc(C3=NCCC3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 10/20 0.56
CHRNA3 P32297 10/20 0.56
CHRNA7 P36544 2/20 0.49
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
THRB P10828 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 2/20 0.41
MAOB P27338 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
LTA4H P09960 1/20 0.39
TSHR P16473 1/20 0.39
GSTP1 P09211 1/20 0.39

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
SCHEMBL2806024 0.82 CHRNB4 (0.57) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL24310074 0.81 CHRNB4 (0.52) CHRNB4CHRNA3CHRNA7MAOB
SCHEMBL18985115 0.80 CHRNB4 (0.67) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL165812 0.78 CHRNB4 (0.87) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL2809629 0.75 CHRNB4 (0.52) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL2879014 0.74 LTA4H (0.63) ALDH1A1GAAMAOBLTA4HTSHR
SCHEMBL14894412 0.74 MAOB (0.47) ALDH1A1GAAMAOBLTA4HTSHR
SCHEMBL895500 0.73 CHRNB4 (1.00) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL433117 0.73 CHRNB4 (0.90) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL20819791 0.73 CHRNB4 (0.53) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
EP-2253614-B1 Inhibitors of IAP NOVARTIS AG (CH) 2012-09-19 EP disclosed
EP-1735307-B1 INHIBITORS OF IAP NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-8207183-B2 Inhibitors of IAP NOVARTIS AG (CH) 2012-06-26 US disclosed
US-8207183-B2 Inhibitors of IAP NOVARTIS AG (CH) 2012-06-26 US disclosed
EP-2065368-A1 Inhibitors of IAP Novartis Ag (CH) 2009-06-03 EP disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 US disclosed
EP-1735307-A1 INHIBITORS OF IAP Novartis AG (CH) 2006-12-27 EP disclosed
WO-2005097791-A1 INHIBITORS OF IAP NOVARTIS AG (CH) 2005-10-20 WO disclosed
US-20050234042-A1 Organic compounds PALERMO MARK G 2005-10-20 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 (3 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-20080242658-A1 Inhibitors of Iap XIAP, BIRC2, BIRC5 CHRNB4 3843/4885CHRNA3 4283/4885CHRNA7 4152/4885
US-20050234042-A1 Organic compounds AIFM1, BAX, API5 CHRNB4 4516/4885CHRNA3 4655/4885CHRNA7 4619/4885
US-20120207769-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 CHRNB4 3951/4885CHRNA3 4416/4885CHRNA7 4168/4885

“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.