SCHEMBL21189351

SCHEMBL21189351

Cc1cccc(COC(=O)N[C@H]2CCOc3c(C(=O)Nc4ccc(F)c(Cl)c4)cccc32)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
PTGES O14684 4/20 0.38
FADS1 O60427 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DPP4 P27487 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
P2RX7 Q99572 4/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL21189353 0.93 PTGES (0.36) PTGESSMN1; SMN2
SCHEMBL21189289 0.89 NPC1 (0.46) FADS1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL21189491 0.86 L3MBTL1 (0.40) KMT2AMEN1PTGESFADS1P2RX7
SCHEMBL21189278 0.85 FADS1 (0.46) KMT2AMEN1PTGESFADS1SMN1; SMN2
SCHEMBL21189253 0.84 PTGES (0.37) KMT2APTGESALDH1A1
SCHEMBL19973437 0.82 FADS1 (0.48) KMT2AMEN1FADS1SMN1; SMN2P2RX7
SCHEMBL19973438 0.82 FADS1 (0.48) KMT2AMEN1FADS1SMN1; SMN2P2RX7
SCHEMBL21189427 0.82 NPC1 (0.39) PTGESSMN1; SMN2P2RX7ALDH1A1
SCHEMBL21189264 0.82 NPC1 (0.44) SMN1; SMN2P2RX7TSHRALDH1A1
SCHEMBL21189330 0.82 NPC1 (0.44) SMN1; SMN2P2RX7TSHRALDH1A1

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 KMT2A 155/4885MEN1 1933/4885PTGES 4518/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS KMT2A 155/4885MEN1 1933/4885PTGES 4518/4885

“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.