SCHEMBL17433440

SCHEMBL17433440

Clc1ccc(/C=C/c2cc3ccc(Br)cc3[nH]2)nc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ NFE2L2 Q16236 5/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ITK Q08881 1/20 0.34
▸ GPR183 P32249 1/20 0.33
▸ AHR P35869 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
SCHEMBL19179902 1.00 PRMT1 (0.37) PRMT1NOS1METAP2DYRK1ANFE2L2
SCHEMBL19179899 0.88 NOS1 (0.41) PRMT1NOS1METAP2DYRK1AITK
SCHEMBL17433391 0.88 NOS1 (0.41) PRMT1NOS1METAP2DYRK1AITK
SCHEMBL19180057 0.85 PRMT1 (0.36) PRMT1NOS1METAP2DYRK1AITK
SCHEMBL17433449 0.85 PRMT1 (0.36) PRMT1NOS1METAP2DYRK1AITK
SCHEMBL17433388 0.82 AHR (0.45) PRMT1NOS1METAP2DYRK1AITK
SCHEMBL19181915 0.81 PRMT1 (0.44) PRMT1NPC1GPR183AHR
SCHEMBL17433412 0.81 PRMT1 (0.44) PRMT1NPC1GPR183AHR
SCHEMBL17433439 0.80 TUBB4A (0.45) PRMT1NOS1METAP2DYRK1ANPC1
SCHEMBL19182162 0.80 TUBB4A (0.45) PRMT1NOS1METAP2DYRK1ANPC1

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 2208/4885NOS1 1495/4885METAP2 2548/4885

“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.

Send feedback