SCHEMBL21189306

SCHEMBL21189306

O=C1CC[C@@H](COC(=O)N[C@H]2CCOc3c(C(=O)Nc4ccc(F)c(Cl)c4)ccc(F)c32)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MGLL Q99685 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
FADS1 O60427 1/20 0.35
GRM4 Q14833 1/20 0.35
MAPT P10636 3/20 0.34
NR1I2 O75469 1/20 0.34
AHR P35869 1/20 0.34
CNR1 P21554 1/20 0.34
GPR35 Q9HC97 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HDAC3 O15379 1/20 0.34
EGFR P00533 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL21189190 1.00 KMT2A (0.36) KMT2AMEN1ALDH1A1MGLLNPC1
SCHEMBL21189191 0.92 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL21189298 0.91 IRAK4 (0.35) NPC1RAB9AGRM4
SCHEMBL21189295 0.91 IRAK4 (0.35) NPC1RAB9AGRM4
SCHEMBL26597559 0.87 KMT2A (0.38) KMT2AMEN1ALDH1A1MGLLNPC1
SCHEMBL21189362 0.86 IRAK4 (0.35) NPC1RAB9AGRM4MAPTLMNA
SCHEMBL19973622 0.85 CHRM1 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL19973889 0.84 CHRM1 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2HDAC1
SCHEMBL21189301 0.83 GRM4 (0.34) NPC1RAB9AGRM4
SCHEMBL21189275 0.83 NPC1 (0.46) KMT2AMEN1ALDH1A1NPC1RAB9A

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 1933/4885ALDH1A1 3241/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS KMT2A 155/4885MEN1 1933/4885ALDH1A1 3241/4885

“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.