SCHEMBL6496513

SCHEMBL6496513

Clc1ccc(/C=C/c2nc3ccccc3s2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.57
MAPT P10636 7/20 0.51
KMT2A Q03164 6/20 0.51
RAB9A P51151 6/20 0.51
MEN1 O00255 5/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
ALPL P05186 1/20 0.51
GLA P06280 1/20 0.51
ALPG P10696 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
ALOX5 P09917 1/20 0.48
EPHX2 P34913 1/20 0.48

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
SCHEMBL6496514 1.00 SNCA (0.57) SNCAMAPTKMT2ARAB9AMEN1
SCHEMBL537900 0.86 SNCA (0.57) SNCAMAPTKMT2ARAB9AMEN1
SCHEMBL3447907 0.86 SNCA (0.57) SNCAMAPTKMT2ARAB9AMEN1
SCHEMBL10619184 0.81 SNCA (0.65) SNCAMAPTKMT2ARAB9AMEN1
SCHEMBL18851120 0.80 MEN1 (0.67) SNCAMAPTKMT2ARAB9AMEN1
SCHEMBL6116681 0.79 SNCA (0.53) SNCAMAPTKMT2ARAB9AMEN1
SCHEMBL6116675 0.79 SNCA (0.53) SNCAMAPTKMT2ARAB9AMEN1
SCHEMBL6115910 0.77 MAPT (0.54) SNCAMAPTKMT2ARAB9AMEN1
SCHEMBL6115915 0.77 MAPT (0.54) SNCAMAPTKMT2ARAB9AMEN1
SCHEMBL10859656 0.75 SNCA (0.57) SNCAMAPTKMT2AMEN1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 WO disclosed
US-20050260126-A1 Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein BF RESEARCH INSTITUTE (JP) 2005-11-24 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-20050260126-A1 Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein PRNP, PRPH, PCNP SNCA 20/4885MAPT 7/4885KMT2A 3291/4885
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 SNCA 4816/4885MAPT 3760/4885KMT2A 2483/4885

“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.