SCHEMBL17422756

SCHEMBL17422756

Brc1ccc(C=Cc2cc3ccc(Br)cc3[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.48
AHR P35869 1/20 0.39
GPR183 P32249 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
NOS1 P29475 1/20 0.37
METAP2 P50579 1/20 0.37
DYRK1A Q13627 1/20 0.37
ITK Q08881 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 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
SCHEMBL17422755 1.00 PRMT1 (0.48) PRMT1AHRGPR183KDM4EALDH1A1
SCHEMBL17433388 0.91 AHR (0.45) PRMT1AHRNOS1METAP2DYRK1A
SCHEMBL19181915 0.91 PRMT1 (0.44) PRMT1AHRGPR183KDM4EALDH1A1
SCHEMBL17433412 0.91 PRMT1 (0.44) PRMT1AHRGPR183KDM4EALDH1A1
SCHEMBL17433392 0.91 PRMT1 (0.44) PRMT1GPR183
SCHEMBL19180054 0.91 PRMT1 (0.44) PRMT1GPR183
SCHEMBL17433481 0.90 TUBB4A (0.46) PRMT1CYP2C19TUBB4ATUBBTUBA3C
SCHEMBL17433405 0.87 AHR (0.42) PRMT1AHRGPR183
SCHEMBL19181228 0.87 AHR (0.42) PRMT1AHRGPR183
SCHEMBL18666088 0.85 CYP2A6 (0.51) PRMT1KDM4EALDH1A1HPGDCYP2C19

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-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 2208/4885AHR 4643/4885GPR183 3877/4885

“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.