SCHEMBL21189191

SCHEMBL21189191

O=C1C[C@@H](COC(=O)N[C@H]2CCOc3c(C(=O)Nc4ccc(F)c(Cl)c4)ccc(F)c32)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CNR1 P21554 1/20 0.36
GPR35 Q9HC97 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
FADS1 O60427 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
GRM4 Q14833 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HDAC3 O15379 1/20 0.34
EGFR P00533 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 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
SCHEMBL21189306 0.92 KMT2A (0.36) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL21189190 0.92 KMT2A (0.36) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL21189301 0.91 GRM4 (0.34) NPC1RAB9AGRM4
SCHEMBL19973622 0.86 CHRM1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL19973889 0.86 CHRM1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL21189195 0.84 NPC1 (0.46) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL21189275 0.84 NPC1 (0.46) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL21189276 0.84 NPC1 (0.46) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL21189295 0.83 IRAK4 (0.35) NPC1RAB9AGRM4
SCHEMBL21189298 0.83 IRAK4 (0.35) NPC1RAB9AGRM4

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