SCHEMBL5611208

SCHEMBL5611208

CC1(C)C(=O)N(CC2CO2)C(=O)N1Br

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
HBB P68871 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
MAPT P10636 1/20 0.32
DHFR P00374 1/20 0.32

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
SCHEMBL261620 0.81 TP53 (0.42) TP53HBBSMN1; SMN2OPRM1OPRK1
SCHEMBL11152227 0.80 TP53 (0.41) TP53HBBSMN1; SMN2OPRM1OPRK1
SCHEMBL25137100 0.80 TP53 (0.41) TP53HBBSMN1; SMN2OPRM1OPRK1
SCHEMBL11089324 0.79 TP53 (0.47) TP53HBBSMN1; SMN2OPRM1OPRK1
SCHEMBL12268497 0.75 TP53 (0.47) TP53HBBSMN1; SMN2OPRM1OPRK1
SCHEMBL8912098 0.74 POLB (0.45)
SCHEMBL11756952 0.73 TP53 (0.41) TP53HBBSMN1; SMN2DHFR
SCHEMBL21119006 0.73 TP53 (0.64) TP53HBBSMN1; SMN2OPRM1OPRK1
SCHEMBL21119007 0.73 TP53 (0.64) TP53HBBSMN1; SMN2OPRM1OPRK1
SCHEMBL11679953 0.73 TP53 (0.35) TP53HBBSMN1; SMN2OPRM1OPRK1

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-8821907-B2 Biocidal N-halamine epoxides AUBURN UNIVERSITY OFFICE OF TECHNOLOGY TRANSFER (US) 2014-09-02 US disclosed
US-20070015921-A1 Biocidal N-Halamine epoxides AUBURN UNIVERSITY 2007-01-18 US disclosed
WO-2006099567-A2 BIOCIDAL N-HALAMINE EPOXIDES AUBURN UNIVERSITY (US) 2006-09-21 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-20070015921-A1 Biocidal N-Halamine epoxides HNMT, HCK, CHIA TP53 2070/4885HBB 898/4885SMN1; SMN2 4587/4885

“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.