SCHEMBL570931

SCHEMBL570931

NC1CCOc2c(Cl)cc(Cl)cc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.37
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MAP3K14 Q99558 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 1/20 0.32
AHR P35869 1/20 0.32
AR P10275 1/20 0.31

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
SCHEMBL570930 1.00 SLC2A1 (0.37) SLC2A1SLC6A2SLC6A4SLC6A3NOS1
Hydrochloric Acid SCHEMBL19378047 0.98 SLC2A1 (0.36) SLC2A1SLC6A2SLC6A4SLC6A3NOS1
SCHEMBL23505839 0.84 SLC2A1 (0.37) SLC2A1NOS1NOS2MAP3K14ADRA2A
SCHEMBL25659975 0.79 HTR2A (0.38) SLC2A1NOS1NOS2MAP3K14ADRA2A
Hydrochloric Acid SCHEMBL31715373 0.78 NPC1 (0.33)
SCHEMBL3847929 0.75 ADRA2A (0.50) SLC6A2SLC6A4SLC6A3ADRA2AADRA2B
SCHEMBL31316665 0.75 ADRA2A (0.50) SLC6A2SLC6A4SLC6A3ADRA2AADRA2B
SCHEMBL27509754 0.75 SLC2A1 (0.35) SLC2A1MAP3K14ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL31316673 0.74 ADRA2A (0.49) SLC6A2SLC6A4SLC6A3ADRA2AADRA2B
SCHEMBL6340390 0.73 CNR1 (0.34) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 US disclosed
US-10889573-B2 Anthelmintic quinoline-3-carboxamide derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-01-12 US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
EP-2601193-B1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM ELANCO ANIMAL HEALTH IRELAND (IE) 2015-03-11 EP disclosed
US-8618100-B2 Compounds with antibacterial activity against Clostridium ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-12-31 US disclosed
EP-2601193-A1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM Elanco Animal Health Ireland Limited (IE) 2013-06-12 EP disclosed
US-20130109694-A1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-05-02 US disclosed
WO-2012017030-A1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM ELANCO ANIMAL HEALTH IRELAND LIMITED (IE) 2012-02-09 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 (4 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-20130109694-A1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM VIP, PRF1, C5 SLC2A1 4370/4885SLC6A2 4363/4885SLC6A4 3374/4885
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 SLC2A1 2736/4885SLC6A2 3000/4885SLC6A4 2505/4885
US-10889573-B2 Anthelmintic quinoline-3-carboxamide derivatives HRH4, HRH2, H1-5 SLC2A1 4840/4885SLC6A2 4297/4885SLC6A4 3899/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 SLC2A1 2736/4885SLC6A2 3000/4885SLC6A4 2505/4885

“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.