SCHEMBL1616192

SCHEMBL1616192

O=C1C(Br)CCCC1c1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
KDM1A O60341 2/20 0.40
KDM1B Q8NB78 1/20 0.40
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
DPP4 P27487 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PIK3C3 Q8NEB9 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
HCAR2 Q8TDS4 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL1615804 0.74 MEN1 (0.47) KMT2AMEN1NPC1KDM1AKDM1B
SCHEMBL1617268 0.73 CYP19A1 (0.36)
SCHEMBL961105 0.73 LMNA (0.37) KMT2AMEN1NPC1KDM1ALMNA
SCHEMBL1615843 0.72 HTR1A (0.38) NOS3NOS1NOS2GAA
SCHEMBL1617043 0.72 GAA (0.42) GAA
SCHEMBL28247579 0.70 KDM1A (0.52) KMT2AMEN1NPC1KDM1AKDM1B
SCHEMBL17185966 0.70 ALDH1A1 (0.40) KDM1AGAA
SCHEMBL18418759 0.70 ALDH1A1 (0.40) KDM1AGAA
SCHEMBL909235 0.70 KDM1A (0.41) KMT2AMEN1NPC1KDM1AKDM1B
SCHEMBL1616148 0.70 SIRT2 (0.40) NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 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 (1 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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 KMT2A 2297/4885MEN1 1754/4885NPC1 1000/4885

“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.