SCHEMBL19973630

SCHEMBL19973630

O=C(NC1CCOc2c(C(=O)Nc3ccc(F)c(F)c3)cccc21)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 12/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
CES1 P23141 1/20 0.43
BACE1 P56817 2/20 0.43
BACE2 Q9Y5Z0 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
MET P08581 1/20 0.43
KDR P35968 1/20 0.43
MERTK Q12866 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL19973525 0.85 HTT (0.43) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19973530 0.85 HTT (0.43) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19973488 0.85 TP53 (0.41) GRM4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19973487 0.85 TP53 (0.41) GRM4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19973432 0.85 TP53 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL19973586 0.85 TP53 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL19973433 0.85 TP53 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL21189330 0.84 NPC1 (0.44) GRM4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21189264 0.84 NPC1 (0.44) GRM4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19973466 0.84 NPC1 (0.44) GRM4NPC1RAB9ASMN1; SMN2ALDH1A1

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 3 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
WO-2018052967-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2018-03-22 WO 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 GRM4 3439/4885NPC1 983/4885RAB9A 1393/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS GRM4 3439/4885NPC1 983/4885RAB9A 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.