SCHEMBL19974845

SCHEMBL19974845

CC(C(=O)C(=O)NCC1CC1)N(C=O)c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM1 P11229 1/20 0.36
IL1B P01584 4/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL19974901 0.91 HPGD (0.38) DRD2ALDH1A1GAAL3MBTL1POLB
SCHEMBL19974871 0.87 MEN1 (0.39) DRD2ALDH1A1GAAL3MBTL1POLB
SCHEMBL19975567 0.83 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1POLBMEN1
SCHEMBL28316641 0.82 SMN1; SMN2 (0.45) ALDH1A1GAAL3MBTL1POLBMEN1
SCHEMBL21176277 0.82 PTGIR (0.41) CYP2C19PTGIREPHX1
SCHEMBL19975287 0.80 PTGIR (0.47) ALDH1A1GAAL3MBTL1SMN1; SMN2OPRD1
SCHEMBL19975382 0.79 L3MBTL1 (0.39) ALDH1A1GAAL3MBTL1CYP2C19SMN1; SMN2
SCHEMBL19975397 0.79 L3MBTL1 (0.39) ALDH1A1GAAL3MBTL1CYP2C19SMN1; SMN2
SCHEMBL19974988 0.79 L3MBTL1 (0.39) ALDH1A1GAAL3MBTL1CYP2C19SMN1; SMN2
SCHEMBL28315360 0.79 CYP2C19 (0.33) ALDH1A1GAAL3MBTL1MEN1TP53

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 DRD2 3773/4885ALDH1A1 2271/4885GAA 75/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C DRD2 3704/4885ALDH1A1 2673/4885GAA 107/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C DRD2 3773/4885ALDH1A1 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.