SCHEMBL21189388

SCHEMBL21189388

Cc1cc(NC(=O)c2ccc(F)c3c2OCCC3)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.44
RAB9A P51151 11/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 4/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.41
PARP1 P09874 1/20 0.41
MAPT P10636 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
HTT P42858 1/20 0.40
CASP6 P55212 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTR2B P41595 1/20 0.40
LMNA P02545 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL21189313 0.90 MAOB (0.49) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL26706898 0.82 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
Hydrochloric Acid SCHEMBL19973447 0.77 HTR2B (0.41) NPC1RAB9ASMN1; SMN2TP53HPGD
Hydrochloric Acid SCHEMBL19973448 0.77 HTR2B (0.41) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL25626235 0.76 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL26713644 0.76 RAB9A (0.52) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL19973441 0.76 HTR2B (0.40) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL21189197 0.76 HTR2B (0.42) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL19973442 0.76 HTR2B (0.40) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL19973451 0.75 HTR2B (0.40) NPC1RAB9ASMN1; SMN2TP53HPGD

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 NPC1 983/4885RAB9A 1393/4885SMN1; SMN2 3837/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS NPC1 983/4885RAB9A 1393/4885SMN1; SMN2 3837/4885

“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.