SCHEMBL21189362

SCHEMBL21189362

Cc1cc(NC(=O)c2ccc(F)c3c2OCC[C@@H]3NC(=O)OC[C@H]2CCCC(=O)N2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.35
GRM4 Q14833 5/20 0.33
F11 P03951 1/20 0.33
PARP1 P09874 1/20 0.33
CASP6 P55212 1/20 0.32
HTR2B P41595 1/20 0.32
DRD4 P21917 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31

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
SCHEMBL21189295 0.95 IRAK4 (0.35) IRAK4GRM4PARP1HTR2BDRD4
SCHEMBL21189298 0.95 IRAK4 (0.35) IRAK4GRM4PARP1HTR2BDRD4
SCHEMBL21189301 0.91 GRM4 (0.34) GRM4PARP1CASP6HTR2BDRD4
SCHEMBL21189306 0.86 KMT2A (0.36) GRM4NPC1RAB9ALMNATP53
SCHEMBL21189190 0.86 KMT2A (0.36) GRM4NPC1RAB9ALMNATP53
SCHEMBL21189312 0.83 DRD4 (0.33) IRAK4GRM4CASP6HTR2BDRD4
SCHEMBL21189314 0.83 DRD4 (0.33) IRAK4GRM4CASP6HTR2BDRD4
SCHEMBL21189433 0.82 APOB (0.40) HTR2BDRD4TMEM97SIGMAR1HCRTR1
SCHEMBL21189248 0.82 APOB (0.40) HTR2BDRD4TMEM97SIGMAR1HCRTR1
SCHEMBL21189366 0.81 CHRM3 (0.39) GRM4NPC1RAB9ALMNAMAPT

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 IRAK4 2122/4885GRM4 3439/4885F11 1690/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS IRAK4 2122/4885GRM4 3439/4885F11 1690/4885

“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.