SCHEMBL1054521

SCHEMBL1054521

O=CCCC(=O)c1cncc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ HCAR2 Q8TDS4 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ HTT P42858 4/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CASP3 P42574 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 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
SCHEMBL31585319 0.83 POLB (0.61) POLBHCAR2KDM4EHTTALOX15
SCHEMBL27623883 0.83 POLB (0.56) POLBHCAR2KDM4EHTTALOX15
SCHEMBL16891501 0.81 POLB (0.58) POLBHCAR2KDM4EHTTALOX15
SCHEMBL15624546 0.81 POLB (0.46) POLBHCAR2KDM4EHTTALOX15
SCHEMBL30547547 0.79 POLB (0.56) POLBHCAR2KDM4EHTTALOX15
SCHEMBL25816382 0.79 POLB (0.56) POLBHCAR2KDM4EHTTALOX15
SCHEMBL5094634 0.78 KDM4E (0.67) POLBHCAR2KDM4EHTTALOX15
SCHEMBL7533255 0.78 POLB (0.55) POLBHCAR2KDM4EHTTALOX15
SCHEMBL1051595 0.78 POLB (0.55) POLBHCAR2KDM4EHTTALOX15
SCHEMBL6118965 0.77 POLB (0.62) POLBHCAR2KDM4EHTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2537846-B1 Intermediate compounds for preparing SMAC peptidomimetics NOVARTIS AG (CH) 2015-09-16 — — EP disclosed
EP-2102229-B1 PYRROLYDINE DERIVATIVES AS IAP INHIBITORS NOVARTIS AG (CH) 2014-03-26 — — EP disclosed
EP-2102229-B1 PYRROLYDINE DERIVATIVES AS IAP INHIBITORS NOVARTIS AG (CH) 2014-03-26 — — EP disclosed
US-20140004101-A1 SMAC PEPTIDOMETICS USEFUL AS IAP INHIBITORS NOVARTIS AG (CH) 2014-01-02 — — US disclosed
US-8552003-B2 (S)-N-((S)-1-cyclohexyl-2-{(S)-2-[4-4-(4-fluorobenzoyl)-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl)-2-methylamino-propionamide, or pharmaceutically acceptable salts thereof and their uses NOVARTIS AG (CH) 2013-10-08 — — US disclosed
US-8552003-B2 (S)-N-((S)-1-cyclohexyl-2-{(S)-2-[4-4-(4-fluorobenzoyl)-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl)-2-methylamino-propionamide, or pharmaceutically acceptable salts thereof and their uses NOVARTIS AG (CH) 2013-10-08 — — US disclosed
US-8552003-B2 (S)-N-((S)-1-cyclohexyl-2-{(S)-2-[4-4-(4-fluorobenzoyl)-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl)-2-methylamino-propionamide, or pharmaceutically acceptable salts thereof and their uses NOVARTIS AG (CH) 2013-10-08 — — US disclosed
US-8546336-B2 SMAC peptidometics useful as IAP inhibitors NOVARTIS AG (CH) 2013-10-01 — — US disclosed
US-8546336-B2 SMAC peptidometics useful as IAP inhibitors NOVARTIS AG (CH) 2013-10-01 — — US disclosed
US-8546336-B2 SMAC peptidometics useful as IAP inhibitors NOVARTIS AG (CH) 2013-10-01 — — US disclosed
US-20110015232-A1 Pyrrolydine Derivatives as IAP Inhibitors NOVARTIS AG 2011-01-20 — — US disclosed
US-20110015232-A1 Pyrrolydine Derivatives as IAP Inhibitors NOVARTIS AG 2011-01-20 — — US disclosed
US-20110015232-A1 Pyrrolydine Derivatives as IAP Inhibitors NOVARTIS AG 2011-01-20 — — US disclosed
CN-101595121-A Pyrrolidine derivatives as IAP inhibitors NOVARTIS AG (CH) 2009-12-02 — — CN disclosed
EP-2102229-A1 PYRROLYDINE DERIVATIVES AS IAP INHIBITORS Novartis AG (CH) 2009-09-23 — — EP disclosed
CN-101511860-A SMAC peptidomimetics useful as IAP inhibitors NOVARTIS AG (CH) 2009-08-19 — — CN disclosed
EP-2051990-A1 SMAC PEPTIDOMIMETICS USEFUL AS IAP INHIBITORS Novartis AG (CH) 2009-04-29 — — EP disclosed
WO-2008045905-A1 PYRROLYDINE DERIVATIVES AS IAP INHIBITORS NOVARTIS AG (CH) 2008-04-17 — — WO disclosed
WO-2008045905-A1 PYRROLYDINE DERIVATIVES AS IAP INHIBITORS NOVARTIS AG (CH) 2008-04-17 — — WO disclosed
WO-2008016893-A1 SMAC PEPTIDOMIMETICS USEFUL AS IAP INHIBITORS NOVARTIS AG (CH) 2008-02-07 — — 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-20140004101-A1 SMAC PEPTIDOMETICS USEFUL AS IAP INHIBITORS BIRC5, BIRC2, BIRC7 POLB 1495/4885HCAR2 4184/4885KDM4E 2517/4885
US-20110015232-A1 Pyrrolydine Derivatives as IAP Inhibitors XIAP, BIRC5, BIRC3 POLB 3154/4885HCAR2 1985/4885KDM4E 2432/4885

“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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