SCHEMBL21189327

SCHEMBL21189327

NC1CCOc2c(C(=O)OI)cccc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.37
ACHE P22303 2/20 0.33
HTR4 Q13639 2/20 0.31
MGAM O43451 1/20 0.30
AMY1A P0DUB6 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7972501 0.82 PARP1 (0.41) PARP1ACHEALDH1A1LMNA
SCHEMBL19973594 0.82 PARP1 (0.41) PARP1ACHEALDH1A1LMNA
Hydrochloric Acid SCHEMBL19974005 0.81 PARP1 (0.40) PARP1ACHEALDH1A1
Hydrochloric Acid SCHEMBL19974004 0.81 PARP1 (0.40) PARP1ACHEALDH1A1
Bromide SCHEMBL29540950 0.71 ACHE (0.43) ACHE
Bromide SCHEMBL20554328 0.71 ACHE (0.43) ACHE
SCHEMBL10587461 0.70 CFD (0.42) ACHEKDM4E
SCHEMBL19973699 0.70 KDM4E (0.43) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL8128005 0.70 NPC1 (0.51) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL10586303 0.70 PTGDR2 (0.49) KDM4EALDH1A1HSD17B10

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 PARP1 435/4885ACHE 1996/4885HTR4 2346/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS PARP1 435/4885ACHE 1996/4885HTR4 2346/4885

“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.