SCHEMBL2108506

SCHEMBL2108506

O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)c2cccnc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CLK1 P49759 1/20 0.47
NLRP3 Q96P20 1/20 0.47
L3MBTL1 Q9Y468 5/20 0.47
MMP9 P14780 3/20 0.45
ALOX12 P18054 2/20 0.45
MEN1 O00255 2/20 0.45
HSP90AA1 P07900 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX15B O15296 1/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ALOX5 P09917 1/20 0.45
ALOX15 P16050 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL2109762 0.88 ALDH1A1 (0.61) KDM4EMAPTALDH1A1CLK1NLRP3
SCHEMBL2110248 0.83 RIPK1 (0.52) KDM4EMAPTALDH1A1L3MBTL1MMP9
SCHEMBL2110907 0.81 EGLN1 (0.60) KDM4EMAPTALDH1A1NLRP3HSP90AA1
SCHEMBL2111462 0.78 L3MBTL1 (0.53) KDM4EMAPTALDH1A1L3MBTL1MMP9
SCHEMBL2109927 0.75 ALOX12 (0.50) KDM4EMAPTALDH1A1L3MBTL1MMP9
SCHEMBL22246740 0.74 P2RX7 (0.47) ALDH1A1NLRP3MEN1KMT2ASLC6A2
SCHEMBL2111796 0.74 NPC1 (0.54) KDM4EMAPTALDH1A1L3MBTL1MMP9
SCHEMBL14496757 0.74 MAPT (0.51) KDM4EMAPTL3MBTL1MEN1HSP90AA1
SCHEMBL14775738 0.73 HDAC3 (0.57) KDM4EMAPTALDH1A1CLK1NLRP3
SCHEMBL2111795 0.73 L3MBTL1 (0.55) KDM4EMAPTALDH1A1L3MBTL1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP claimed
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US claimed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US claimed
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP disclosed
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP disclosed
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US disclosed
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US disclosed
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US disclosed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US disclosed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US disclosed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 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-20080312278-A1 Hydroxyquinoline Derivatives MKI67, CCNT1, CCNY KDM4E 1352/4885MAPT 4748/4885ALDH1A1 820/4885

“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.