SCHEMBL17433392

SCHEMBL17433392

Fc1ccc(/C=C/c2cc3ccc(Br)cc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.44
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NFE2L2 Q16236 5/20 0.38
PTGS1 P23219 1/20 0.38
GPR183 P32249 1/20 0.37

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
SCHEMBL19180054 1.00 PRMT1 (0.44) PRMT1MAPTNPSR1L3MBTL1NFE2L2
SCHEMBL17422756 0.91 PRMT1 (0.48) PRMT1GPR183
SCHEMBL17422755 0.91 PRMT1 (0.48) PRMT1GPR183
SCHEMBL17433388 0.85 AHR (0.45) PRMT1MAPTNPSR1
SCHEMBL17433412 0.85 PRMT1 (0.44) PRMT1MAPTNPSR1GPR183
SCHEMBL19181915 0.85 PRMT1 (0.44) PRMT1MAPTNPSR1GPR183
SCHEMBL17433481 0.84 TUBB4A (0.46) PRMT1MAPTNPSR1
SCHEMBL17433405 0.84 AHR (0.42) PRMT1PTGS1GPR183
SCHEMBL19181228 0.84 AHR (0.42) PRMT1PTGS1GPR183
SCHEMBL17422778 0.79 CYP19A1 (0.45) PRMT1MAPTNPSR1

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 3 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

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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 PRMT1 2208/4885MAPT 3760/4885NPSR1 4406/4885

“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.