SCHEMBL21189487

SCHEMBL21189487

O=C(NC1CCOc2c(C(=O)Nc3ccc(F)c(F)c3)cccc21)OCc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HDAC8 Q9BY41 1/20 0.39
SGMS2 Q8NHU3 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
LRRK2 Q5S007 2/20 0.39
NAMPT P43490 1/20 0.38
GRM4 Q14833 1/20 0.38
ROCK2 O75116 1/20 0.37
HDAC1 Q13547 1/20 0.37
PABPC1 P11940 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
ESR2 Q92731 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL21189329 1.00 MEN1 (0.42) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL21189207 0.91 NAMPT (0.39) ALDH1A1NAMPTGRM4ROCK2POLB
SCHEMBL21189263 0.91 NAMPT (0.39) ALDH1A1NAMPTGRM4ROCK2POLB
SCHEMBL19973602 0.91 NAMPT (0.39) ALDH1A1NAMPTGRM4ROCK2POLB
SCHEMBL21189272 0.88 GRM4 (0.36) MEN1MAPTKMT2AHTTSGMS2
SCHEMBL21189337 0.87 P2RX7 (0.39) KMT2AGRM4PDPK1P2RX7
SCHEMBL21189250 0.85 GRM4 (0.36) MAPTGRM4P2RX7
SCHEMBL21189252 0.85 TRPV1 (0.36) ALDH1A1LMNAP2RX7
SCHEMBL19973466 0.85 NPC1 (0.44) MAPTALDH1A1LMNAGRM4POLB
SCHEMBL21189330 0.85 NPC1 (0.44) MAPTALDH1A1LMNAGRM4POLB

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 MEN1 1933/4885MAPT 3165/4885KMT2A 155/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS MEN1 1933/4885MAPT 3165/4885KMT2A 155/4885

“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.