SCHEMBL5204893

SCHEMBL5204893

NC(=O)CCc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
GLA P06280 1/20 0.50
MEN1 O00255 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PLAU P00749 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL5717719 0.87 MAPT (0.58) MAPTHTTRAB9AALDH1A1KMT2A
SCHEMBL1855724 0.85 MAPT (0.60) MAPTHTTRAB9AALDH1A1KMT2A
SCHEMBL3422410 0.85 HTT (0.57) MAPTHTTRAB9AALDH1A1KMT2A
Azelaic Acid SCHEMBL27562613 0.82 MAPT (0.57) MAPTHTTRAB9AALDH1A1KMT2A
SCHEMBL3932258 0.81 MAPT (0.56) MAPTHTTRAB9AALDH1A1KMT2A
Acetic Acid SCHEMBL4444086 0.80 KMT2A (0.53) MAPTHTTRAB9AALDH1A1KMT2A
SCHEMBL17878843 0.80 KMT2A (0.53) MAPTHTTRAB9AALDH1A1KMT2A
SCHEMBL31255200 0.80 TDP1 (0.55) MAPTHTTRAB9AALDH1A1KMT2A
SCHEMBL16586047 0.80 TDP1 (0.55) MAPTHTTRAB9AALDH1A1KMT2A
SCHEMBL30636549 0.80 TDP1 (0.55) MAPTHTTRAB9AALDH1A1KMT2A

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 6 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
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 (2 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 MAPT 3557/4885HTT 3482/4885RAB9A 1478/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 MAPT 3557/4885HTT 3482/4885RAB9A 1478/4885

“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.