SCHEMBL19975249

SCHEMBL19975249

O=C(NCC1CCCCC1)C(=O)C1CCC(=O)N1CCC1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
EPHX1 P07099 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
LIPE Q05469 1/20 0.33
CTSD P07339 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL21176376 0.89 POLB (0.36) CYP2C19ALDH1A1KMT2APOLBTDP1
SCHEMBL21176253 0.80 EPHX1 (0.39) ALDH1A1SMN1; SMN2KMT2AEPHX1HTT
SCHEMBL19975022 0.80 SMN1; SMN2 (0.39) CYP2C19ALDH1A1SMN1; SMN2TSHR
SCHEMBL21176199 0.78 EPHX1 (0.36) ALDH1A1SMN1; SMN2KMT2ATDP1EPHX1
SCHEMBL21176369 0.78 EPHX1 (0.36) ALDH1A1SMN1; SMN2KMT2ATDP1EPHX1
SCHEMBL19975239 0.77 SMN1; SMN2 (0.40) CYP2C19ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL21176222 0.76 ALDH1A1 (0.48) ALDH1A1KMT2APOLBTDP1HTT
SCHEMBL19975082 0.75 ALDH1A1 (0.40) CYP2C19ALDH1A1SMN1; SMN2KMT2A
SCHEMBL23758450 0.72 TSHR (0.41) CYP2C19ALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL19975240 0.71 KMT2A (0.45) CYP2C19ALDH1A1SMN1; SMN2KMT2APOLB

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 CYP2C19 3198/4885ALDH1A1 2271/4885SMN1; SMN2 706/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C CYP2C19 3143/4885ALDH1A1 2673/4885SMN1; SMN2 1086/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C CYP2C19 3198/4885ALDH1A1 2271/4885SMN1; 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.