SCHEMBL21772575

SCHEMBL21772575

N=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)N2CCC(NC(=O)O)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.45
DRD4 P21917 4/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 1/20 0.41
EPHX2 P34913 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR1 P25103 1/20 0.39
ADRB2 P07550 1/20 0.38
OPRD1 P41143 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL20332531 0.91 KMT2A (0.42) EPHX1DRD4CTDSP1TDP1PARP1
SCHEMBL21772587 0.89 SIGMAR1 (0.39) EPHX1DRD4L3MBTL1LMNA
SCHEMBL7553178 0.88 KDM5A (0.40) EPHX1DRD4CTDSP1TDP1CHRM3
SCHEMBL7572847 0.88 PARP1 (0.43) PARP1L3MBTL1MEN1TSHRKMT2A
SCHEMBL7572087 0.88 ROCK2 (0.43) L3MBTL1MEN1LMNATSHRMAPK1
SCHEMBL7568892 0.88 KMT2A (0.48) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL7538262 0.87 RAB9A (0.45) L3MBTL1MEN1LMNATSHRMAPK1
SCHEMBL7545741 0.86 PKM (0.44) L3MBTL1MEN1LMNATSHRMAPK1
SCHEMBL7552996 0.85 KMT2A (0.45) DRD4CTDSP1TDP1L3MBTL1MEN1
SCHEMBL20304243 0.85 GAA (0.43) MEN1LMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200069691-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-03-05 US claimed
US-20200069691-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-03-05 US 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 (1 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-20200069691-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS SERPINB1, PREP, PEPD EPHX1 848/4885DRD4 2573/4885CTDSP1 408/4885

“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.