SCHEMBL5204540

SCHEMBL5204540

NC(=O)C=Cc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
OPRK1 P41145 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
PLAU P00749 1/20 0.49
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL6719542 1.00 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EMEN1NPC1
SCHEMBL5717499 0.87 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EMEN1NPC1
SCHEMBL1675500 0.76 KMT2A (0.51) ALDH1A1HPGDKDM4EMEN1NPC1
SCHEMBL31321020 0.73 CYP1A2 (0.50) ALDH1A1HPGDKDM4EMEN1NPC1
SCHEMBL29827991 0.73 ALDH1A1 (0.73) ALDH1A1HPGDMEN1HTTRAB9A
SCHEMBL1719092 0.73 ALDH1A1 (0.73) ALDH1A1HPGDMEN1HTTRAB9A
SCHEMBL31711464 0.73 KDM4E (0.51) ALDH1A1HPGDKDM4EMEN1NPC1
SCHEMBL31606851 0.73 KDM4E (0.51) ALDH1A1HPGDKDM4EMEN1NPC1
SCHEMBL15209757 0.73 KDM4E (0.51) ALDH1A1HPGDKDM4EMEN1NPC1
SCHEMBL3370460 0.72 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EMEN1NPC1

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-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885HPGD 2504/4885KDM4E 1204/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885HPGD 2504/4885KDM4E 1204/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 ALDH1A1 2482/4885HPGD 2843/4885KDM4E 1358/4885

“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.