SCHEMBL21176329

SCHEMBL21176329

CC(C)CN(C=O)C(C(C)C)C(O)C(=O)NCC1CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
F10 P00742 2/20 0.32
PRSS1 P07477 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 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
SCHEMBL19974679 0.85 KMT2A (0.36) KMT2ATDP1F10PRSS1SMN1; SMN2
SCHEMBL19975158 0.82 KDM4E (0.32) KMT2A
SCHEMBL19975385 0.78 TDP1 (0.34) TDP1SMN1; SMN2ALOX15CYP3A4
SCHEMBL21176382 0.76 CTSD (0.33) KMT2ATDP1SMN1; SMN2CYP3A4
SCHEMBL19975199 0.74 PTGIR (0.39) KMT2AF10PRSS1ALDH1A1CYP3A4
SCHEMBL19974882 0.74 KMT2A (0.38) KMT2ATDP1SMN1; SMN2CYP3A4
SCHEMBL21183501 0.73 SMN1; SMN2 (0.34) KMT2ATDP1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL19975400 0.73 SMN1; SMN2 (0.40) KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL19974838 0.73 SMN1; SMN2 (0.40) KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL28875792 0.71 METAP2 (0.39) KMT2ATDP1ALDH1A1

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-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
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (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 KMT2A 4031/4885TDP1 1016/4885F10 1167/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KMT2A 4177/4885TDP1 911/4885F10 1141/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885TDP1 1016/4885F10 1167/4885

“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.