SCHEMBL9949417

SCHEMBL9949417

N=C1N=Cc2cccc(F)c21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 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
SCHEMBL7754886 0.75 ALDH1A1 (0.32)
SCHEMBL33377367 0.75 CA1 (0.36) NPC1LMNARAB9A
SCHEMBL8372471 0.59 TTR (0.41) NPC1LMNARAB9A
SCHEMBL2649168 0.59 LMNA (0.58) NPC1LMNARAB9A
SCHEMBL22129686 0.58 CA1 (0.48) NPC1LMNARAB9A
SCHEMBL6285317 0.58 TTR (0.32)
SCHEMBL7755458 0.58
SCHEMBL18939806 0.57 ACHE (0.48) NPC1LMNARAB9A
SCHEMBL29096395 0.57 CA9 (0.42) LMNA
SCHEMBL12578987 0.56 RAB9A (0.41) NPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165346-A1 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2012-06-28 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-20120165346-A1 Compounds and their use as BACE inhibitors BACE1, BACE2, PSEN1 NPC1 155/4885LMNA 752/4885RAB9A 473/4885

“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.