SCHEMBL1021607

SCHEMBL1021607

COCCOc1ccc(I)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
HTT P42858 3/20 0.39
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 5/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SSTR4 P31391 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.36
NFKB1 P19838 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
SCHEMBL15197103 0.85 TSHR (0.40) HPGDHTTKDM4EKMT2AALDH1A1
SCHEMBL6480994 0.81 KDM4E (0.39) HPGDHTTKDM4EKMT2AALDH1A1
SCHEMBL8300246 0.81 ESR1 (0.51) KDM4EALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL3917609 0.81 KDM4E (0.39) HPGDKDM4EKMT2AALDH1A1L3MBTL1
SCHEMBL4473487 0.81 KDM4E (0.40) KDM4EKMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL12180458 0.81 HPGD (0.56) HPGDHTTKDM4EKMT2AALDH1A1
SCHEMBL26586908 0.80 KDM4E (0.38) HPGDKDM4EKMT2AALDH1A1L3MBTL1
SCHEMBL28986269 0.80 L3MBTL1 (0.48) HPGDHTTKDM4EKMT2AALDH1A1
SCHEMBL1612735 0.80 GAA (0.46) HTTKDM4EKMT2AALDH1A1POLB
SCHEMBL1020226 0.79 ESR1 (0.46) HPGDHTTKDM4EKMT2AALDH1A1

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 HPGD 250/4885HTT 1924/4885KDM4E 2670/4885

“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.