SCHEMBL21189397

SCHEMBL21189397

O=C(Nc1ccc(F)c(F)c1)c1cccc2c1OCCC2c1cnccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 2/20 0.39
ROCK2 O75116 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.38
HPGD P15428 1/20 0.38
PTGES O14684 1/20 0.37
ADRA2A P08913 1/20 0.37
AKR1C3 P42330 1/20 0.37
GRM4 Q14833 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL19973911 0.89 TP53 (0.45) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL19973452 0.86 CYP11B2 (0.45) TP53CYP11B1CYP11B2SMN1; SMN2NPC1
SCHEMBL19973537 0.86 TP53 (0.42) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL19973648 0.85 TP53 (0.42) TP53CYP11B1CYP11B2SMN1; SMN2NPC1
SCHEMBL19973592 0.82 TP53 (0.49) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL19973412 0.79 TP53 (0.47) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL19973413 0.79 TP53 (0.47) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL19973425 0.79 TP53 (0.47) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL21189272 0.79 GRM4 (0.36) TP53CYP11B1CYP11B2SMN1; SMN2NPC1
SCHEMBL21175567 0.79 L3MBTL1 (0.47) TP53CYP11B1CYP11B2SMN1; SMN2NPC1

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 TP53 166/4885CYP11B1 927/4885CYP11B2 988/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS TP53 166/4885CYP11B1 927/4885CYP11B2 988/4885

“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.