SCHEMBL19102454

SCHEMBL19102454

ON(O)c1ccc(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLAU P00749 1/20 0.41
PTK2 Q05397 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FDPS P14324 1/20 0.35
FDFT1 P37268 1/20 0.35
MAOB P27338 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BRD4 O60885 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
SCHEMBL16838713 0.81 ADK (0.43) ADRA2AADRA2BADRA2CL3MBTL1PLAU
SCHEMBL1193460 0.71 HDAC6 (0.48) ADRA2AADRA2BADRA2CPLAUMEN1
SCHEMBL27768259 0.71 L3MBTL1 (0.42) ADRA2AADRA2BADRA2CL3MBTL1PLAU
SCHEMBL27619934 0.71 PTK2 (0.47) ADRA2AADRA2BADRA2CL3MBTL1PLAU
SCHEMBL14339841 0.71 PTK2 (0.39) ADRA2AADRA2BADRA2CL3MBTL1PLAU
SCHEMBL4417417 0.70 PTK2 (0.46) L3MBTL1PTK2SMN1; SMN2MEN1USP2
SCHEMBL525912 0.70 ADRA2A (0.41) ADRA2AADRA2BADRA2CL3MBTL1PLAU
SCHEMBL28487270 0.70 ADRA2A (0.41) ADRA2AADRA2BADRA2CL3MBTL1PLAU
SCHEMBL17322362 0.69 NFE2L2 (0.38) L3MBTL1PTK2SMN1; SMN2MEN1USP2
SCHEMBL28028214 0.69 ADRA2A (0.35) ADRA2AADRA2BADRA2CL3MBTL1PLAU

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-20170333437-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-11-23 US disclosed
US-9700559-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-07-11 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-20170333437-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT ADRA2A 870/4885ADRA2B 1099/4885ADRA2C 488/4885

“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.