SCHEMBL1770541

SCHEMBL1770541

Cc1ccc(C)c(OCCBr)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
SCN5A Q14524 1/20 0.37
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PTPN1 P18031 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
HTR1B P28222 1/20 0.32
SCN4A P35499 2/20 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
SCHEMBL4746675 0.86 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTSCN5AKDM4E
SCHEMBL64093 0.80 ALDH1A1 (0.50) ALDH1A1SCN5AKDM4EMAPTTSHR
SCHEMBL14430044 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HTTSCN5AKDM4E
SCHEMBL6484469 0.78 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTSCN5AKDM4E
SCHEMBL8297104 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTSCN5AKDM4E
SCHEMBL10153418 0.75 NR5A1 (0.44) ALDH1A1SMN1; SMN2HTTKDM4ETSHR
SCHEMBL6985548 0.75 NQO1 (0.42) ALDH1A1SMN1; SMN2HTTSCN5AKDM4E
SCHEMBL9665266 0.73 SCN5A (0.39) ALDH1A1SMN1; SMN2HTTSCN5AKDM4E
SCHEMBL14793094 0.73 SCN5A (0.43) ALDH1A1SMN1; SMN2HTTSCN5AKDM4E
SCHEMBL14451269 0.73 SCN5A (0.39) ALDH1A1SMN1; SMN2HTTSCN5AKDM4E

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
EP-2318361-B1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
US-8841291-B2 Selective hydroxamic acid based MMP-12 and MMP-13 inhibitors NOVARTIS AG (CH) 2014-09-23 US disclosed
US-20140031399-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2014-01-30 US disclosed
US-20110112076-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2011-05-12 US disclosed
EP-2318361-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS Novartis AG (CH) 2011-05-11 EP disclosed
WO-2010007027-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2010-01-21 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-20110112076-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS MMP13, MMP11, MMP14 ALDH1A1 609/4885SMN1; SMN2 1636/4885HTT 236/4885
US-20140031399-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS MMP13, MMP11, MMP14 ALDH1A1 618/4885SMN1; SMN2 1740/4885HTT 272/4885

“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.