SCHEMBL20870877

SCHEMBL20870877

CNC1CCc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.46
MTNR1A P48039 4/20 0.46
SMYD3 Q9H7B4 1/20 0.41
NPC1 O15118 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
MTNR1B P49286 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 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
SCHEMBL28119251 0.81 SMYD3 (0.44) PDPK1MTNR1ASMYD3NPC1MAPK13
SCHEMBL22111783 0.81 GAA (0.46) PDPK1MTNR1AMAPTGAAMTNR1B
SCHEMBL14021442 0.81 GAA (0.46) PDPK1MTNR1AMAPTGAAMTNR1B
SCHEMBL14294675 0.75 DRD2 (0.39) PDPK1MTNR1ANPC1GAADRD2
SCHEMBL7954949 0.75 SMYD3 (0.46) MTNR1ASMYD3MAPTGAADRD3
SCHEMBL23275075 0.75 MTNR1A (0.46) MTNR1ASMYD3MAPTGAAMTNR1B
SCHEMBL1716130 0.75 SMYD3 (0.52) MTNR1ASMYD3MAPTGAADRD3
SCHEMBL5263501 0.75 MTNR1A (0.41) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL29683355 0.75 MTNR1A (0.45) PDPK1MTNR1ASMYD3NPC1MAPK13
SCHEMBL29641564 0.75 MTNR1A (0.45) PDPK1MTNR1ASMYD3NPC1MAPK13

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
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 US disclosed
EP-3919056-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2021-12-08 EP disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 US disclosed
US-20200069609-A1 METHOD FOR COVALENT BOND MODIFYING MAMMALIAN ATG8 HOMOLOGUE Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-03-05 US disclosed
WO-2019062802-A1 ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION DONGGUAN HEC TECH R & D CO., LTD. (CN) 2019-04-04 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-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof ATG7, SQSTM1, BECN1 PDPK1 121/4885MTNR1A 2430/4885SMYD3 4483/4885
US-20200069609-A1 METHOD FOR COVALENT BOND MODIFYING MAMMALIAN ATG8 HOMOLOGUE ATG7, ATG4A, MLST8 PDPK1 2264/4885MTNR1A 2741/4885SMYD3 40/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 PDPK1 121/4885MTNR1A 2430/4885SMYD3 4483/4885

“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.