SCHEMBL14856480

SCHEMBL14856480

O=C(NC1CCCNC1=O)c1ccc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.54
CRBN Q96SW2 3/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
CCR2 P41597 3/20 0.49
APOL1 O14791 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHEK1 O14757 1/20 0.46
HPGDS O60760 1/20 0.43
GPR6 P46095 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL14857374 1.00 ALDH1A1 (0.55) ALDH1A1KDM4ECRBNRAB9ANPC1
SCHEMBL14856469 0.90 ALDH1A1 (0.55) ALDH1A1KDM4ECRBNRAB9ANPC1
SCHEMBL14856468 0.90 ALDH1A1 (0.55) ALDH1A1KDM4ECRBNRAB9ANPC1
SCHEMBL14857154 0.84 ALDH1A1 (0.68) ALDH1A1KDM4ECRBNRAB9ANPC1
SCHEMBL14857155 0.84 ALDH1A1 (0.68) ALDH1A1KDM4ECRBNRAB9ANPC1
SCHEMBL14856126 0.81 RAB9A (0.69) ALDH1A1KDM4ECRBNRAB9ANPC1
SCHEMBL14856635 0.81 RAB9A (0.69) ALDH1A1KDM4ECRBNRAB9ANPC1
SCHEMBL14856205 0.80 ALDH1A1 (0.62) ALDH1A1KDM4ECRBNRAB9ANPC1
SCHEMBL14856372 0.80 RAB9A (0.59) ALDH1A1KDM4ECRBNRAB9ANPC1
SCHEMBL31507408 0.80 CRBN (0.78) CRBN

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
US-20130172318-A1 ANTI-INFLAMMATORY AGENTS GRAINGER DAVID JOHN (GB) 2013-07-04 US claimed
EP-2580196-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Ltd. (GB) 2013-04-17 EP claimed
WO-2011154696-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-12-15 WO claimed
US-20130172318-A1 ANTI-INFLAMMATORY AGENTS GRAINGER DAVID JOHN (GB) 2013-07-04 US disclosed
EP-2580196-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Ltd. (GB) 2013-04-17 EP disclosed
WO-2011154696-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-12-15 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-20130172318-A1 ANTI-INFLAMMATORY AGENTS IL6, TNF, IL1B ALDH1A1 196/4885KDM4E 1765/4885CRBN 3447/4885

“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.