SCHEMBL18020128

SCHEMBL18020128

O=c1[nH]c(=O)c2cc(-c3cccc(Br)c3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
PARP1 P09874 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PDE3A Q14432 3/20 0.47
CSNK1D P48730 1/20 0.43
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41

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
SCHEMBL17979420 0.85 CA12 (0.49) CA12CA9PARP1KDM4EPDE3A
SCHEMBL8900615 0.83 PDE3A (0.62) CA12CA9PARP1KDM4EPDE3A
SCHEMBL182445 0.81 JAK2 (0.60) CA12CA9PARP1KDM4ECHEK1
SCHEMBL18020134 0.81 PDE3A (0.59) CA12CA9PARP1KDM4EPDE3A
SCHEMBL18020129 0.79 PARP1 (0.61) CA12CA9PARP1KDM4EPDE3A
SCHEMBL18020131 0.77 PDE3A (0.49) CA12CA9PARP1KDM4EPDE3A
SCHEMBL19844373 0.76 ALDH1A1 (0.51) CA12CA9PARP1KDM4EPDE3A
SCHEMBL19850400 0.76 PDE3A (0.51) CA12CA9PARP1KDM4EPDE3A
SCHEMBL31441277 0.76 CA12 (0.49) CA12CA9PARP1KDM4EPDE3A
SCHEMBL16305032 0.76 IDO1 (0.55) KDM4EIDO1TDO2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3257093-B1 ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS MERCK PATENT GMBH (DE) 2021-07-07 EP disclosed
US-10249831-B2 Electronic device containing cyclic lactams MERCK PATENT GMBH (DE) 2019-04-02 US disclosed
US-20180040832-A1 ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS MERCK PATENT GMBH (DE) 2018-02-08 US disclosed
US-20180040832-A1 ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS MERCK PATENT GMBH (DE) 2018-02-08 US disclosed
WO-2016128103-A1 ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS MERCK PATENT GMBH (DE) 2016-08-18 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-10249831-B2 Electronic device containing cyclic lactams OXA1L, UROD, MRPL21 CA12 1575/4885CA9 1764/4885PARP1 2150/4885
US-20180040832-A1 ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS OXA1L, UROD, MRPL21 CA12 1575/4885CA9 1764/4885PARP1 2150/4885

“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.