SCHEMBL1023562

SCHEMBL1023562

COc1ccc([Mg]Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
TUBB1 Q9H4B7 5/20 0.44
KDM1A O60341 2/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MITF O75030 1/20 0.40
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP17A1 P05093 1/20 0.38
PTGS2 P35354 2/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
ERN1 O75460 1/20 0.36
PTGS1 P23219 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL929959 0.80 RAB9A (0.46) HTTRAB9ALMNAMAPK1TUBB1
SCHEMBL30883901 0.80 RAB9A (0.46) HTTRAB9ALMNAMAPK1TUBB1
SCHEMBL1021724 0.78 ACHE (0.40) RAB9ALMNAMAPK1ALDH1A1KDM4E
SCHEMBL8038315 0.73 CES2 (0.36)
SCHEMBL1765256 0.72 LMNA (0.50) HTTRAB9ALMNAMAPK1TUBB1
Bromide SCHEMBL9341518 0.72 CES2 (0.34)
SCHEMBL9464193 0.72 CYP17A1 (0.61) HTTRAB9ALMNAMAPK1TUBB1
SCHEMBL29366053 0.72 LMNA (0.53) HTTRAB9ALMNAMAPK1TUBB1
SCHEMBL197204 0.72 LMNA (0.53) HTTRAB9ALMNAMAPK1TUBB1
SCHEMBL1023561 0.71 LMNA (0.48) HTTRAB9ALMNAMAPK1TUBB1

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-2314590-A1 Substituted quinolones and methods of use ChemoCentryx, Inc. (US) 2011-04-27 EP disclosed
EP-1954274-B8 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2011-01-12 EP disclosed
EP-1954274-B1 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2010-11-03 EP disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
EP-1954274-A4 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-01-07 EP disclosed
EP-1954274-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE ChemoCentryx Inc (US) 2008-08-13 EP disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 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 (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-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B HTT 1924/4885RAB9A 1645/4885LMNA 713/4885

“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.