SCHEMBL21189386

SCHEMBL21189386

O=C(Nc1ccc(F)c(F)c1)c1cccc2c1CCC[C@@H]2NCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
MAPT P10636 5/20 0.45
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR2B P41595 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL19973507 0.88 TP53 (0.47) TP53MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL19973509 0.88 TP53 (0.47) TP53MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL19973584 0.85 KMT2A (0.46) TP53MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL21189373 0.85 TAS1R3 (0.46) TP53MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL19973585 0.85 KMT2A (0.46) TP53MAPTRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL19973484 0.83 TP53 (0.46) TP53MAPTRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL19973483 0.83 TP53 (0.46) TP53MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL19973627 0.82 MAPT (0.40) TP53MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL19973628 0.82 MAPT (0.40) TP53MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL19973626 0.82 MAPT (0.40) TP53MAPTRAB9ANPC1SMN1; SMN2

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 166/4885MAPT 3165/4885RAB9A 1393/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS TP53 166/4885MAPT 3165/4885RAB9A 1393/4885

“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.