SCHEMBL4868283

SCHEMBL4868283

Brc1cc2ccccc2nc1Br.Brc1ccc2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
ACHE P22303 1/20 0.45
NCF1 P14598 3/20 0.39
CYP1A2 P05177 2/20 0.39
NOS2 P35228 1/20 0.39
BACE1 P56817 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
HTR3A P46098 1/20 0.39
CYP2A6 P11509 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
MAPK1 P28482 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL30511098 0.88 TDP1 (0.63) TDP1MAPTALDH1A1HPGDGLA
SCHEMBL2596089 0.88 TDP1 (0.63) TDP1MAPTALDH1A1HPGDGLA
SCHEMBL14127532 0.84 NCF1 (0.52) TDP1MAPTALDH1A1HPGDGLA
SCHEMBL29427043 0.84 NCF1 (0.52) TDP1MAPTALDH1A1HPGDGLA
SCHEMBL9430 0.84 NCF1 (0.52) TDP1MAPTALDH1A1HPGDGLA
Bromide SCHEMBL27534621 0.82 NCF1 (0.50) TDP1MAPTALDH1A1HPGDGLA
SCHEMBL28914737 0.82 NCF1 (0.50) TDP1MAPTALDH1A1HPGDGLA
SCHEMBL6347887 0.82 NCF1 (0.50) TDP1MAPTALDH1A1HPGDGLA
Bromomethane SCHEMBL27605706 0.80 CYP1A2 (0.54) TDP1MAPTALDH1A1HPGDGLA
SCHEMBL27165253 0.72 TDP1 (0.53) TDP1MAPTALDH1A1HPGDGLA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 TDP1 1009/4885MAPT 4372/4885ALDH1A1 1357/4885

“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.