SCHEMBL4164646

SCHEMBL4164646

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.63
KCNH2 Q12809 1/20 0.60
DHODH Q02127 1/20 0.53
BRD3 Q15059 3/20 0.50
MAPT P10636 4/20 0.49
ALOX15 P16050 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 1/20 0.49
RB1 P06400 3/20 0.48
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.47
CASP6 P55212 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PRMT5 O14744 1/20 0.44
CDC42 P60953 1/20 0.43
SIRT1 Q96EB6 2/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4025627 0.85 RB1 (0.59) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4152538 0.84 CYP2D6 (0.67) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4163867 0.84 CYP2D6 (0.70) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL21996157 0.83 CYP2D6 (0.79) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4025145 0.82 CYP2D6 (0.58) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL22135864 0.81 CYP2D6 (0.70) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4152213 0.81 BRD3 (0.75) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4023478 0.81 CYP2D6 (0.60) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL15278258 0.81 MAPT (0.74) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL5458951 0.80 RB1 (0.59) CYP2D6KCNH2DHODHBRD3MAPT

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 11 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-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
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 (2 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-20090170923-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 CYP2D6 994/4885KCNH2 4356/4885DHODH 103/4885
US-20060281804-A1 Novel cycloalkyl'b! condensed indoles BCCIP, TP53, TOP2B CYP2D6 3945/4885KCNH2 3846/4885DHODH 2239/4885

“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.