SCHEMBL17414002

SCHEMBL17414002

O=C1C=CNC2CCCN12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4637445 0.65
SCHEMBL29801214 0.65
SCHEMBL27194674 0.63 NOS1 (0.39) ALDH1A1GAA
SCHEMBL5475039 0.63 NOS1 (0.35) ALDH1A1GAAKDM4EMAPT
SCHEMBL2896725 0.61
SCHEMBL22692251 0.60
SCHEMBL2366282 0.60
SCHEMBL11525533 0.60
SCHEMBL21548748 0.59 ALDH1A1 (0.36) ALDH1A1GAAHPGDHSD17B10KDM4E
SCHEMBL19528693 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3998257-A1 FLAVAGLINE DERIVATIVES PIERRE FABRE MEDICAMENT (FR) 2022-05-18 EP disclosed
EP-3418273-B1 FLAVAGLINE DERIVATIVES PF MEDICAMENT (FR) 2022-01-12 EP disclosed
US-10519125-B2 Flavagline derivatives PIERRE FABRE MEDICAMENT (FR) 2019-12-31 US disclosed
US-20180086729-A1 FLAVAGLINE DERIVATIVES PIERRE FABRE MEDICAMENT (FR) 2018-03-29 US disclosed
US-20180086729-A1 FLAVAGLINE DERIVATIVES PIERRE FABRE MEDICAMENT (FR) 2018-03-29 US disclosed
US-20170137400-A1 FLAVAGLINE DERIVATIVES PIERRE FABRE MEDICAMENT (FR) 2017-05-18 US disclosed
US-20170137400-A1 FLAVAGLINE DERIVATIVES PIERRE FABRE MEDICAMENT (FR) 2017-05-18 US disclosed
WO-2016001441-A1 FLAVAGLINE DERIVATIVES PIERRE FABRE MEDICAMENT (FR) 2016-01-07 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-20170137400-A1 FLAVAGLINE DERIVATIVES GCG, GCGR, KRAS ALDH1A1 585/4885GAA 25/4885HPGD 72/4885
US-20180086729-A1 FLAVAGLINE DERIVATIVES GCG, GCGR, KRAS ALDH1A1 585/4885GAA 25/4885HPGD 72/4885
US-10519125-B2 Flavagline derivatives GCG, GCGR, KRAS ALDH1A1 585/4885GAA 25/4885HPGD 72/4885

“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.