SCHEMBL5608749

SCHEMBL5608749

FC(F)(F)c1ccccc1C/N=C/c1nc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
KDM4E B2RXH2 8/20 0.45
HPGD P15428 7/20 0.45
NPSR1 Q6W5P4 3/20 0.43
NPC1 O15118 9/20 0.40
RAB9A P51151 9/20 0.40
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
PKM P14618 4/20 0.40
HSP90AA1 P07900 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KHK P50053 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
LMNA P02545 5/20 0.38
MAPT P10636 6/20 0.37

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
SCHEMBL5608753 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDNPSR1NPC1
SCHEMBL813867 0.76 KDM4E (0.52) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL813921 0.70 RAB9A (0.47) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL813924 0.70 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDNPSR1NPC1
SCHEMBL6185357 0.69 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDNPSR1NPC1
SCHEMBL10957656 0.69 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDNPSR1NPC1
SCHEMBL6185354 0.69 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDNPSR1NPC1
SCHEMBL15267615 0.68 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDNPSR1NPC1
SCHEMBL813986 0.68 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDNPSR1NPC1
SCHEMBL814022 0.67 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDNPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603957-B1 POLYMERISATION AND OLIGOMERISATION CATALYSTS INEOS SALES UK LTD (GB) 2015-10-28 EP disclosed
EP-1603957-B1 POLYMERISATION AND OLIGOMERISATION CATALYSTS INEOS SALES UK LTD (GB) 2015-10-28 EP disclosed
EP-1789459-B1 POLYOLEFINS INEOS SALES UK LTD (GB) 2014-04-30 EP disclosed
US-7989565-B2 Polyolefins INEOS EUROPE LIMITED (GB) 2011-08-02 US disclosed
US-7989565-B2 Polyolefins INEOS EUROPE LIMITED (GB) 2011-08-02 US disclosed
US-20090124487-A1 Polyolefins BARCLAYS BANK PLC (GB) 2009-05-14 US disclosed
US-20090124487-A1 Polyolefins BARCLAYS BANK PLC (GB) 2009-05-14 US disclosed
US-20070207918-A1 Polymerisation and Oligomerisation Catalysts INEOS SALES (UK) LIMITED (GB) 2007-09-06 US disclosed
US-20070207918-A1 Polymerisation and Oligomerisation Catalysts INEOS SALES (UK) LIMITED (GB) 2007-09-06 US disclosed
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed
US-20060094588-A1 Polymerisation and oligomerisation catalysts BARCLAYS BANK PLC (GB) 2006-05-04 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-20060094588-A1 Polymerisation and oligomerisation catalysts CCNA1, AP2M1, AP2A1 ALDH1A1 1543/4885KDM4E 2689/4885HPGD 1458/4885

“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.