SCHEMBL20875889

SCHEMBL20875889

O=C(O)C(=O)C1CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 2/20 0.59
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 2/20 0.57
NPC1 O15118 1/20 0.57
GLA P06280 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL1902358 0.88 SMN1; SMN2 (0.76) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL28007665 0.86 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL10255967 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL9144175 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL2525981 0.85 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL20875979 0.83 KMT2A (0.57) ALDH1A1SMN1; SMN2HTTHPGDLMNA
SCHEMBL9437311 0.82 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL9437361 0.81 L3MBTL1 (0.64) ALDH1A1SMN1; SMN2HTTLMNANPC1
SCHEMBL14966487 0.81 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2HTTLMNANPC1
SCHEMBL5970008 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HTTTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180479-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-11-23 US disclosed
US-11180479-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-11-23 US disclosed
EP-3692035-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2020-08-12 EP disclosed
US-20200239446-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2020-07-30 US disclosed
US-20200239446-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2020-07-30 US disclosed
WO-2019068841-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2019-04-11 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-11180479-B2 Antiviral compounds PLA2G1B, PLA2G4A, PLA2G4C ALDH1A1 2141/4885SMN1; SMN2 504/4885HTT 3151/4885
US-20200239446-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G4A, PLA2G4C ALDH1A1 2141/4885SMN1; SMN2 504/4885HTT 3151/4885

“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.