SCHEMBL19973724

SCHEMBL19973724

CC(C)(C)[S@+]([O-])NC1CCOc2c(C(=O)Nc3ccc(F)c(Cl)c3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 3/20 0.40
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
PTGES O14684 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL19973720 1.00 FADS1 (0.45) FADS1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL19973719 1.00 FADS1 (0.45) FADS1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL19973588 0.92 TP53 (0.39) SMN1; SMN2NPC1RAB9APTGESALDH1A1
SCHEMBL19973590 0.92 TP53 (0.39) SMN1; SMN2NPC1RAB9APTGESALDH1A1
SCHEMBL19973589 0.92 TP53 (0.39) SMN1; SMN2NPC1RAB9APTGESALDH1A1
SCHEMBL26597465 0.85 FADS1 (0.47) FADS1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL19973438 0.83 FADS1 (0.48) FADS1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL19973437 0.83 FADS1 (0.48) FADS1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL21189278 0.82 FADS1 (0.46) FADS1SMN1; SMN2KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL19973480 0.82 FADS1 (0.47) FADS1SMN1; SMN2KMT2ANPC1RAB9A

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 3 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
WO-2018052967-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2018-03-22 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 (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 FADS1 2483/4885SMN1; SMN2 3837/4885KMT2A 155/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS FADS1 2483/4885SMN1; SMN2 3837/4885KMT2A 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.