SCHEMBL21176355

SCHEMBL21176355

CC(C(=O)C(=O)NCC1CCC1)N(C=O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 3/20 0.40
EPHX1 P07099 1/20 0.40
RAB9A P51151 1/20 0.40
PTGES O14684 1/20 0.39
CXCR3 P49682 2/20 0.39
ACHE P22303 2/20 0.39
OPRK1 P41145 1/20 0.38
EPHX2 P34913 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL19974922 0.98 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1GAAL3MBTL1NPC1
SCHEMBL19975068 0.95 PTGES (0.43) SMN1; SMN2ALDH1A1GAAL3MBTL1PTGES
SCHEMBL19975136 0.82 EPHX1 (0.40) SMN1; SMN2ALDH1A1GAAL3MBTL1NPC1
SCHEMBL19974919 0.81 RAB9A (0.42) SMN1; SMN2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL19975258 0.80 KMT2A (0.55) SMN1; SMN2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL21183555 0.80 PTGES (0.42) NPC1EPHX1RAB9APTGESCXCR3
SCHEMBL19975208 0.80 EPHX1 (0.43) SMN1; SMN2ALDH1A1GAAL3MBTL1NPC1
SCHEMBL21183546 0.80 PTGES (0.46) ALDH1A1NPC1RAB9APTGESMEN1
SCHEMBL19975148 0.79 EPHX1 (0.45) SMN1; SMN2ALDH1A1GAAL3MBTL1NPC1
SCHEMBL19975230 0.77 MEN1 (0.40) ALDH1A1L3MBTL1NPC1RAB9APTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C SMN1; SMN2 706/4885ALDH1A1 2271/4885GAA 75/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C SMN1; SMN2 1086/4885ALDH1A1 2673/4885GAA 107/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C SMN1; SMN2 706/4885ALDH1A1 2271/4885GAA 75/4885

“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.