SCHEMBL4806327

SCHEMBL4806327

COC(=O)CCNCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.59
CA14 Q9ULX7 5/20 0.59
CA7 P43166 3/20 0.59
CA9 Q16790 3/20 0.59
TSHR P16473 4/20 0.50
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC1A1 P43005 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CA2 P00918 1/20 0.37
HSD17B10 Q99714 2/20 0.36
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL11227119 0.83 CA12 (0.47) CA12CA14CA7CA9TSHR
SCHEMBL28349586 0.83 TSHR (0.50) CA12CA14CA7CA9TSHR
SCHEMBL19248813 0.82 CA12 (0.46) CA12CA14CA7CA9TSHR
SCHEMBL7428536 0.82 MGAM (0.46) CA12CA14CA7CA9SCN1A
SCHEMBL72889 0.81 TSHR (0.67) CA12CA14CA7CA9TSHR
SCHEMBL13995401 0.81 CA12 (0.49) CA12CA14CA7CA9TSHR
SCHEMBL17725604 0.81 TSHR (0.48) CA12CA14CA7CA9TSHR
SCHEMBL9098228 0.80 CA7 (0.41) CA12CA14CA7CA9SCN1A
Hydrochloric Acid SCHEMBL10588527 0.80 CA12 (0.45) CA12CA14CA7CA9TSHR
Hydrochloric Acid SCHEMBL7567529 0.80 MGAM (0.45) CA12CA14CA7CA9SCN1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
WO-2023168367-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS IMMUNESENSOR THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
US-7371807-B2 Blocked biuretized isocyanates BAYER MATERIALSCIENCE LLC (US) 2008-05-13 US disclosed
EP-1650245-B1 Biuretized polyisocyanates blocked with aralkylamines BAYER MATERIALSCIENCE LLC (US) 2007-12-19 EP disclosed
US-20060089479-A1 Blocked biuretized isocyanates COVESTRO LLC 2006-04-27 US disclosed
EP-1650245-A1 Biuretized polyisocyanates blocked with aralkylamines Bayer MaterialScience LLC (US) 2006-04-26 EP 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-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS CA12 3267/4885CA14 3425/4885CA7 1625/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS CA12 3267/4885CA14 3425/4885CA7 1625/4885

“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.