SCHEMBL19974882

SCHEMBL19974882

CC(C(O)C(=O)NCC1CC1)N(C=O)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
KCNH2 Q12809 1/20 0.30
CACNA1I Q9P0X4 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 0.87 KMT2A (0.36) KMT2ATDP1SMN1; SMN2
SCHEMBL19975043 0.83 SMN1; SMN2 (0.38) KMT2ATDP1SMN1; SMN2MEN1
SCHEMBL21176324 0.81 CYP2D6 (0.34)
SCHEMBL19974838 0.81 SMN1; SMN2 (0.40) KMT2ATDP1SMN1; SMN2MEN1
SCHEMBL19975400 0.81 SMN1; SMN2 (0.40) KMT2ATDP1SMN1; SMN2MEN1
SCHEMBL28875792 0.79 METAP2 (0.39) KMT2ATDP1
SCHEMBL19974731 0.78 TDP1 (0.34) KMT2ATDP1SMN1; SMN2KCNH2CACNA1I
SCHEMBL19974715 0.77 METAP2 (0.30)
SCHEMBL19974757 0.77 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL21176350 0.76 KMT2A (0.33) KMT2ATDP1KCNH2CACNA1I

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 8 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
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN 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 1016/4885SMN1; SMN2 706/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KMT2A 4177/4885TDP1 911/4885SMN1; SMN2 1086/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885TDP1 1016/4885SMN1; SMN2 706/4885

“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.