Bromoethane

Bromoethane

SCHEMBL874659

CCBr.O=c1[nH]nnc2ccccc12

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 4/20 0.46
PARP1 P09874 4/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PDPK1 O15530 1/20 0.41
CA12 O43570 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.41
ELANE P08246 1/20 0.39
GPR3 P46089 1/20 0.39
QTRT1 Q9BXR0 1/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
GUSB P08236 2/20 0.38
TNKS O95271 1/20 0.38
PRMT5 O14744 1/20 0.38

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
SCHEMBL379982 0.89 PARP1 (0.48) TNKS2PARP1ALDH1A1PDPK1CA12
SCHEMBL30067279 0.89 PARP1 (0.48) TNKS2PARP1ALDH1A1PDPK1CA12
Hydrochloric Acid SCHEMBL5807955 0.87 PARP1 (0.47) TNKS2PARP1ALDH1A1PDPK1CA12
SCHEMBL29262564 0.73 PARP1 (0.36) TNKS2PARP1ALDH1A1PDPK1CA12
SCHEMBL9483856 0.72 IP6K1 (0.38) PARP1KMT2A
Bromoethane SCHEMBL874658 0.72 CYP1A2 (0.42) TNKS2ALDH1A1KDM4EPDPK1SMN1; SMN2
SCHEMBL13252170 0.71 TNKS2 (0.46) TNKS2PARP1ALDH1A1KDM4EPDPK1
SCHEMBL874742 0.68 PARP1 (0.54) TNKS2PARP1ALDH1A1KDM4EELANE
SCHEMBL38658683 0.68 METAP2 (0.43) TNKS2PDPK1TNKSPRMT5
SCHEMBL10987574 0.68 METAP2 (0.43) TNKS2PDPK1TNKSPRMT5

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 TNKS2 1948/4885PARP1 462/4885ALDH1A1 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.