SCHEMBL2265112

SCHEMBL2265112

O=C(Cl)c1cc(Br)c(Br)cc1C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
ALDH1A1 P00352 2/20 0.37
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
TTR P02766 1/20 0.33
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
GAA P10253 1/20 0.31
GSK3B P49841 1/20 0.31
PTPN1 P18031 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL11819619 0.89 CA12 (0.38) ALOX15ALDH1A1AKR1C4AKR1C3AKR1C2
SCHEMBL1190815 0.88 ALOX15 (0.37) ALOX15ALDH1A1AKR1C4AKR1C3AKR1C2
SCHEMBL338945 0.81 ALDH1A1 (0.43) ALOX15ALDH1A1CASP1MAPTSMN1; SMN2
SCHEMBL11813056 0.79 EIF2AK2 (0.39) ALOX15ALDH1A1AKR1C4AKR1C3AKR1C2
SCHEMBL1020355 0.76 GAA (0.53) ALOX15ALDH1A1LCKFYNGAA
SCHEMBL27454181 0.76 NPC1 (0.38) ALDH1A1GAAHPGDCYP1A2CYP2C19
SCHEMBL13250855 0.76 ALDH1A1 (0.43) ALOX15ALDH1A1GAACA1CA2
SCHEMBL4465988 0.74 ALDH1A1 (0.38) ALOX15ALDH1A1HPGDCES2NPC1
SCHEMBL31173096 0.74 HPGD (0.50) ALOX15ALDH1A1GAAHPGDCES2
SCHEMBL10630755 0.73 ALDH1A1 (0.33) ALDH1A1GAACA12CA1CA2

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
EP-2651917-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
US-20130266590-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-10-10 US disclosed
US-8445440-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2013-05-21 US disclosed
EP-2539333-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-01-02 EP disclosed
WO-2012080260-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO disclosed
WO-2011104266-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-09-01 WO disclosed
US-20110206690-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-08-25 US disclosed
US-6168649-B1 THIN DISCRIMINATING LAYER SELECTED FROM THE GROUP CONSISTING OF POLYCARBONATE, POLYESTER, AND POLYESTERCARBONATE. MG GENERON, INC. 2001-01-02 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-20130266590-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 ALOX15 4561/4885ALDH1A1 4312/4885AKR1C4 3434/4885
US-20110206690-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 ALOX15 4343/4885ALDH1A1 4127/4885AKR1C4 3400/4885

“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.