SCHEMBL19973532

SCHEMBL19973532

O=C(O)NC1CCOc2c(C(=O)Nc3ccc(F)c(F)c3)cc([N+](=O)[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
RAB9A P51151 8/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPK1 P28482 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MITF O75030 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
PAX8 Q06710 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 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
SCHEMBL19973529 1.00 MAPT (0.39) MAPTRAB9AKMT2AMEN1MAPK1
SCHEMBL19973504 0.90 RAB9A (0.37) MAPTRAB9AKMT2AMEN1MAPK1
SCHEMBL21189202 0.90 MAPT (0.37) MAPTRAB9AKMT2AMEN1MAPK1
SCHEMBL19973508 0.90 RAB9A (0.37) MAPTRAB9AKMT2AMEN1MAPK1
Hydrochloric Acid SCHEMBL19973643 0.85 CYP3A4 (0.40) MAPTRAB9AKMT2AMEN1MAPK1
Hydrochloric Acid SCHEMBL19973645 0.85 CYP3A4 (0.40) MAPTRAB9AKMT2AMEN1MAPK1
SCHEMBL19973964 0.85 MAOB (0.41) MAPTRAB9AKMT2AMEN1MAOB
SCHEMBL19973966 0.85 MAOB (0.41) MAPTRAB9AKMT2AMEN1MAOB
SCHEMBL19973894 0.84 MAPT (0.35) MAPTRAB9AKMT2AMEN1MAPK1
SCHEMBL19973897 0.84 MAPT (0.35) MAPTRAB9AKMT2AMEN1MAPK1

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 3165/4885RAB9A 1393/4885KMT2A 155/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS MAPT 3165/4885RAB9A 1393/4885KMT2A 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.