SCHEMBL19973995

SCHEMBL19973995

CCOC(=O)c1cc([N+](=O)[O-])cc2c1OCCC2=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
CCR6 P51684 2/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AKR1B1 P15121 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL19973511 0.75 TSHR (0.49) MAPTKMT2AALDH1A1HPGDNPSR1
Ethyl Acetate SCHEMBL6810025 0.74 KMT2A (0.44) MAPTNPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL2432752 0.71 NPC1 (0.45) MAPTNPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL7723906 0.71 SMN1; SMN2 (0.68) MAPTNPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL30077244 0.71 ALDH1A1 (0.39) MAPTNPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL7377049 0.70 NPC1 (0.41) MAPTNPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL396778 0.69 NPC1 (0.54) MAPTNPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL21189200 0.69 SMN1; SMN2 (0.37) MAPTNPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL20298740 0.68 NPC1 (0.52) MAPTNPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL20298767 0.68 NPC1 (0.52) MAPTNPC1SMN1; SMN2ALDH1A1LMNA

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

“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.