SCHEMBL19509263

SCHEMBL19509263

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nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
EPHX1 P07099 5/20 0.37
PKM P14618 1/20 0.36
BTK Q06187 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD11B1 P28845 1/20 0.34
CTSK P43235 1/20 0.33
GRM5 P41594 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL22104075 0.91 EPHX1 (0.49) EPHX1ALDH1A1SMN1; SMN2GAA
SCHEMBL19500228 0.81 SMN1; SMN2 (0.36) EPHX1PKMALDH1A1SMN1; SMN2GAA
SCHEMBL103089 0.79 HSD11B1 (0.47) DRD2EPHX1PKMSMN1; SMN2HPGD
Bicarbonate SCHEMBL8027977 0.76 HSD11B1 (0.44) DRD2EPHX1ALDH1A1SMN1; SMN2GAA
SCHEMBL25486735 0.73 EPHX1 (0.48) DRD2EPHX1ALDH1A1SMN1; SMN2GAA
SCHEMBL8260719 0.73 EPHX1 (0.48) DRD2EPHX1ALDH1A1SMN1; SMN2GAA
SCHEMBL12283083 0.73 EPHX2 (0.52) DRD2EPHX1SMN1; SMN2HPGDTSHR
SCHEMBL18663797 0.73 CHRNB2 (0.34) ALDH1A1SMN1; SMN2TSHRCTSK
SCHEMBL28553459 0.73 CTSK (0.34) SMN1; SMN2TSHRCTSK
SCHEMBL12206723 0.72 EPHX1 (0.47) DRD2EPHX1BTKALDH1A1SMN1; 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-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME LLC 2018-07-05 US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 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-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 DRD2 1682/4885EPHX1 4269/4885PKM 4132/4885
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 DRD2 1682/4885EPHX1 4269/4885PKM 4132/4885

“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.