SCHEMBL4152213

SCHEMBL4152213

CC(=O)NC1CCCc2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 7/20 0.75
CYP2D6 P10635 2/20 0.63
KCNH2 Q12809 1/20 0.60
MAPT P10636 3/20 0.58
ALOX15 P16050 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
DHODH Q02127 2/20 0.53
GAA P10253 1/20 0.50
CASP6 P55212 1/20 0.50
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 1/20 0.49
SIRT1 Q96EB6 3/20 0.48
RECQL P46063 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
CDC42 P60953 1/20 0.46

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
SCHEMBL4028639 0.89 CYP2D6 (0.67) BRD3CYP2D6KCNH2MAPTALOX15
SCHEMBL4172365 0.88 CYP2D6 (0.60) BRD3CYP2D6KCNH2MAPTALOX15
SCHEMBL4169472 0.88 MAPT (0.75) BRD3CYP2D6KCNH2MAPTALOX15
SCHEMBL13925731 0.87 BRD3 (0.62) BRD3CYP2D6KCNH2MAPTALOX15
SCHEMBL4161447 0.87 BRD3 (0.77) BRD3CYP2D6MAPTALOX15SMN1; SMN2
SCHEMBL4152166 0.86 CYP2D6 (0.61) BRD3CYP2D6KCNH2MAPTALOX15
SCHEMBL4163639 0.85 BRD3 (0.60) BRD3CYP2D6KCNH2MAPTALOX15
SCHEMBL4026169 0.85 CYP2D6 (0.56) BRD3CYP2D6KCNH2MAPTALOX15
SCHEMBL4157795 0.85 CYP2D6 (0.71) BRD3CYP2D6KCNH2MAPTALOX15
SCHEMBL4157405 0.85 CYP2D6 (0.56) BRD3CYP2D6KCNH2MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 US claimed
EP-1658068-B1 NOVEL CYCLOALKYL[B] CONDENSED INDOLES SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP claimed
US-20060281804-A1 Novel cycloalkyl'b! condensed indoles SMITHKLINE BEECHAM CORPORATION 2006-12-14 US claimed
US-11458121-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-10-04 US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 US disclosed
WO-2019005841-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-03 WO disclosed
WO-2019005841-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-03 WO disclosed
US-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 US disclosed
US-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 US disclosed
US-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 US disclosed
US-20090170923-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-20090170923-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-20090170923-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
EP-1658068-B1 NOVEL CYCLOALKYL[B] CONDENSED INDOLES SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
EP-1658068-B1 NOVEL CYCLOALKYL[B] CONDENSED INDOLES SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
US-20060281804-A1 Novel cycloalkyl'b! condensed indoles SMITHKLINE BEECHAM CORPORATION 2006-12-14 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 (4 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-11458121-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC10A1, SLC47A1 BRD3 3540/4885CYP2D6 1059/4885KCNH2 1640/4885
US-20090170923-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 BRD3 4059/4885CYP2D6 994/4885KCNH2 4356/4885
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 BRD3 3540/4885CYP2D6 1059/4885KCNH2 1640/4885
US-20060281804-A1 Novel cycloalkyl'b! condensed indoles BCCIP, TP53, TOP2B BRD3 72/4885CYP2D6 3945/4885KCNH2 3846/4885

“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.