SCHEMBL21189408

SCHEMBL21189408

O=C(N[C@H]1CCOc2c(C(=O)Nc3ccc(F)c(F)c3)c(F)cc(F)c21)OCc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.40
GRM4 Q14833 4/20 0.38
SLC11A2 P49281 1/20 0.38
ALDH1A1 P00352 2/20 0.36
S1PR3 Q99500 1/20 0.34
MAPK14 Q16539 1/20 0.34
PKM P14618 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NAAA Q02083 1/20 0.34

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
SCHEMBL21189367 0.90 RAB9A (0.44) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL21189208 0.90 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL21189349 0.85 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL21189259 0.85 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL21189330 0.84 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL21189264 0.84 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL19973466 0.84 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL21189291 0.83 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL21189431 0.83 NPC1 (0.45) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL21189292 0.83 NPC1 (0.45) NPC1RAB9AMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 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 (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-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME CBX8, HAVCR2, HCCS NPC1 983/4885RAB9A 1393/4885MAPT 3165/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS NPC1 983/4885RAB9A 1393/4885MAPT 3165/4885

“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.