Bromoethane

Bromoethane

SCHEMBL874658

CCBr.O=c1nn[nH]c2ccccc12

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 5/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 3/20 0.36
PDPK1 O15530 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTT P42858 2/20 0.36
YTHDC1 Q96MU7 1/20 0.35
STAT3 P40763 1/20 0.35
HIF1A Q16665 1/20 0.35
HPGD P15428 3/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALPL P05186 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL547904 0.89 CYP1A2 (0.46) CYP1A2KDM4EALDH1A1RAB9ANPC1
Bromoethane SCHEMBL874659 0.72 TNKS2 (0.46) KDM4EALDH1A1PDPK1SMN1; SMN2TNKS2
SCHEMBL10987571 0.68 JAK2 (0.50) PDPK1IDO1
SCHEMBL10639617 0.68 PDE3B (0.44) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL874076 0.68 ALDH1A1 (0.44) KDM4EALDH1A1RAB9ANPC1HPGD
Carbazole SCHEMBL28851970 0.66 ALDH1A1 (0.70) CYP1A2KDM4EALDH1A1GAAHTT
SCHEMBL11034516 0.66 ALDH1A1 (0.46) CYP1A2KDM4EALDH1A1RAB9ANPC1
Benzotriazole SCHEMBL29054124 0.66 DDAH1 (0.42) CYP1A2KDM4EALDH1A1RAB9ANPC1
Quinazolinone SCHEMBL27387957 0.66 PBRM1 (0.42) KDM4EALDH1A1PDPK1HTTSTAT3
Benzotriazole SCHEMBL5194661 0.64 DDAH1 (0.41) CYP1A2KDM4EALDH1A1RAB9ANPC1

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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 CYP1A2 2322/4885KDM4E 4398/4885ALDH1A1 2281/4885

“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.