SCHEMBL21189200

SCHEMBL21189200

CCOC(=O)c1cc([N+](=O)[O-])cc2c1OCC[C@@H]2N[S+]([O-])C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 4/20 0.36
NPC1 O15118 1/20 0.36
CCR6 P51684 2/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.34
GALR2 O43603 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR4 Q13639 1/20 0.34
CACNA1C Q13936 3/20 0.34
AKR1B1 P15121 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 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
SCHEMBL19973616 0.86 MAPT (0.34) MAPTALDH1A1HPGDLMNAAKR1B1
SCHEMBL19973610 0.86 MAPT (0.34) MAPTALDH1A1HPGDLMNAAKR1B1
SCHEMBL19973608 0.86 MAPT (0.34) MAPTALDH1A1HPGDLMNAAKR1B1
SCHEMBL21189239 0.82 TSHR (0.37) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL21189240 0.82 TSHR (0.37) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL19973895 0.77 MAPT (0.35) SMN1; SMN2MAPTNPC1ALDH1A1MITF
SCHEMBL19973995 0.69 MAPT (0.45) SMN1; SMN2MAPTNPC1CCR6ALDH1A1
SCHEMBL19973547 0.69 TRPV1 (0.36)
SCHEMBL21189270 0.67 TAS1R3 (0.41) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL30783447 0.65 TERT (0.32)

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 SMN1; SMN2 3837/4885MAPT 3165/4885NPC1 983/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS SMN1; SMN2 3837/4885MAPT 3165/4885NPC1 983/4885

“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.