SCHEMBL2801060

SCHEMBL2801060

Brc1ccc(-c2nnn(-c3ccc(Br)cc3)c2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.55
CA2 P00918 9/20 0.55
DHODH Q02127 3/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA4 P22748 5/20 0.47
CA9 Q16790 5/20 0.47
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43

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
SCHEMBL15762186 0.98 CA1 (0.56) CA1CA2DHODHNPC1RAB9A
SCHEMBL28313750 0.93 CA1 (0.49) CA1CA2DHODHNPC1RAB9A
SCHEMBL44422 0.86 NPC1 (0.65) CA1CA2DHODHNPC1RAB9A
Hydrochloric Acid SCHEMBL28572130 0.84 NPC1 (0.62) CA1CA2DHODHNPC1RAB9A
SCHEMBL9911572 0.84 DHODH (0.52) CA1CA2DHODHNPC1RAB9A
SCHEMBL14132957 0.81 NPC1 (0.63) CA1CA2DHODHNPC1RAB9A
SCHEMBL1935195 0.80 DHODH (0.49) CA1CA2DHODHNPC1RAB9A
SCHEMBL6772362 0.80 MAPK14 (0.49) CA1CA2CA4CA9IDO1
SCHEMBL29036623 0.79 NPC1 (0.53) CA1CA2DHODHNPC1RAB9A
SCHEMBL2360671 0.79 DHODH (0.51) CA1CA2DHODHNPC1RAB9A

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-9040718-B2 Hybrid host materials for electrophosphorescent devices THE UNIVERSITY OF ROCHESTER (US) 2015-05-26 US disclosed
WO-2010085676-A1 HYBRID HOST MATERIALS FOR ELECTROPHOSPHORESCENT DEVICES UNIVERSITY OF ROCHESTER (US) 2010-07-29 WO disclosed
US-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices THE UNIVERSITY OF ROCHESTER 2010-07-22 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-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices SLC29A2, SLC43A3, SLC29A1 CA1 3530/4885CA2 2153/4885DHODH 3408/4885

“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.