SCHEMBL16739352

SCHEMBL16739352

F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+3].c1cc(CCc2ccnc(-c3cc(CCc4ccncc4)ccn3)c2)ccn1.c1cc(CCc2ccnc(-c3cc(CCc4ccncc4)ccn3)c2)ccn1.c1cc(CCc2ccnc(-c3cc(CCc4ccncc4)ccn3)c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.41
HRH3 Q9Y5N1 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP21A2 P08686 1/20 0.38
CYP11B1 P15538 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HRH1 P35367 2/20 0.36
NR3C2 P08235 2/20 0.35
ROCK1 Q13464 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL16739310 0.96 LOXL2 (0.41) LOXL2HRH3TDP1L3MBTL1CYP17A1
SCHEMBL30366913 0.92 LOXL2 (0.46) LOXL2HRH3TDP1L3MBTL1CYP17A1
SCHEMBL18614022 0.91 CCR1 (0.52) LOXL2HRH3TDP1L3MBTL1CYP1A2
SCHEMBL31571534 0.91 CCR1 (0.52) LOXL2HRH3TDP1L3MBTL1CYP1A2
SCHEMBL30309267 0.90 LOXL2 (0.48) LOXL2HRH3TDP1L3MBTL1CYP17A1
SCHEMBL16749598 0.90 LOXL2 (0.48) LOXL2HRH3TDP1L3MBTL1CYP17A1
SCHEMBL31571525 0.87 CCR1 (0.52) LOXL2HRH3TDP1L3MBTL1CYP1A2
SCHEMBL18112572 0.84 LOXL2 (0.31) LOXL2CYP1A2
SCHEMBL30366574 0.82 CCR1 (0.59) LOXL2HRH3TDP1L3MBTL1CYP1A2
SCHEMBL18112567 0.80 LOXL2 (0.31) LOXL2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3347929-B1 METHODS OF PREPARING MULTILAYERED ELECTROCHROMIC SYSTEMS YEDA RES & DEV (IL) 2021-01-06 EP disclosed
EP-3347929-A1 METHODS OF PREPARING MULTILAYERED ELECTROCHROMIC SYSTEMS Yeda Research and Development Co. Ltd (IL) 2018-07-18 EP disclosed
US-9847494-B2 Metal-based tris-bipyridyl complexes and uses thereof in electrochromic applications YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-12-19 US disclosed
WO-2017042818-A1 METHODS OF PREPARING MULTILAYERED ELECTROCHROMIC SYSTEMS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-03-16 WO disclosed
US-20160293860-A1 METAL-BASED TRIS-BIPYRIDYL COMPLEXES AND USES THEREOF IN ELECTROCHROMIC APPLICATIONS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2016-10-06 US disclosed
EP-3072171-A1 METAL-BASED TRIS-BIPYRIDYL COMPLEXES AND USES THEREOF IN ELECTROCHROMIC APPLICATIONS Yeda Research and Development Co., Ltd. (IL) 2016-09-28 EP disclosed
WO-2015075714-A1 METAL-BASED TRIS-BIPYRIDYL COMPLEXES AND USES THEREOF IN ELECTROCHROMIC APPLICATIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD (IL) 2015-05-28 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-20160293860-A1 METAL-BASED TRIS-BIPYRIDYL COMPLEXES AND USES THEREOF IN ELECTROCHROMIC APPLICATIONS FECH, TFRC, FHIT LOXL2 4046/4885HRH3 2691/4885TDP1 3297/4885

“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.