SCHEMBL12829849

SCHEMBL12829849

CNCc1ccc(C[C@H](NC=O)C(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ MMP8 P22894 1/20 0.38
▸ PARP1 P09874 3/20 0.38
▸ PARP2 Q9UGN5 2/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ ATM Q13315 2/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 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
SCHEMBL8916793 0.86 SLC6A4 (0.38) SLC6A4MEN1KMT2ATAAR1NOS3
SCHEMBL12524788 0.85 ESR1 (0.51) SLC6A4MEN1KMT2ATAAR1KDM4E
SCHEMBL19042806 0.83 MEN1 (0.59) MEN1KMT2ATAAR1EPHX1CTSS
SCHEMBL13827709 0.83 MEN1 (0.59) MEN1KMT2ATAAR1EPHX1CTSS
SCHEMBL27270915 0.83 MME (0.50) MEN1KMT2ATAAR1EPHX1MMP9
SCHEMBL890153 0.81 CYP3A4 (0.41) SLC6A4MEN1KMT2ATAAR1EPHX1
SCHEMBL27287482 0.74 CTSB (0.45) MEN1KMT2ATAAR1KDM4EMAPT
SCHEMBL10147692 0.74 SRC (0.36) SLC6A4
SCHEMBL13154997 0.73 FDPS (0.47) KMT2AKDM4ECYP3A4
SCHEMBL12698580 0.72 ACE (0.46) TAAR1

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-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 — — US disclosed
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 — — 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 (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-20110070196-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 SLC6A4 3116/4885MEN1 4817/4885KMT2A 2992/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 SLC6A4 3116/4885MEN1 4817/4885KMT2A 2992/4885

“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.

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