SCHEMBL4187019

SCHEMBL4187019

Cc1ccc2[nH]c3c(c2c1)CCCC3NCCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.72
CASP6 P55212 1/20 0.72
PRMT5 O14744 2/20 0.67
CDC42 P60953 1/20 0.61
SIRT1 Q96EB6 3/20 0.53
CYP2D6 P10635 2/20 0.50
CDKN1A P38936 1/20 0.50
RB1 P06400 2/20 0.49
RECQL P46063 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
KCNH2 Q12809 1/20 0.48
BRD3 Q15059 7/20 0.48

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
Hydrochloric Acid SCHEMBL4158259 0.99 GAA (0.74) GAACASP6PRMT5CDC42SIRT1
SCHEMBL5460613 0.97 GAA (0.68) GAACASP6PRMT5CDC42SIRT1
SCHEMBL5467984 0.93 GAA (0.62) GAACASP6PRMT5CDC42SIRT1
SCHEMBL28488725 0.93 GAA (0.69) GAACASP6PRMT5CDC42SIRT1
SCHEMBL5455548 0.89 PRMT5 (0.72) GAACASP6PRMT5CDC42SIRT1
SCHEMBL5461938 0.89 GAA (0.70) GAACASP6PRMT5CDC42SIRT1
SCHEMBL5459664 0.89 GAA (0.70) GAACASP6PRMT5CDC42SIRT1
SCHEMBL5456604 0.89 GAA (0.69) GAACASP6PRMT5CDC42SIRT1
SCHEMBL5448104 0.88 GAA (0.65) GAACASP6PRMT5CDC42SIRT1
SCHEMBL4196072 0.87 CYP2D6 (0.67) GAACASP6PRMT5CDC42CYP2D6

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
EP-1658068-B1 NOVEL CYCLOALKYL[B] CONDENSED INDOLES SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP claimed
US-20200147069-A1 Compounds for The Reduction of The Deleterious Activity of Extended Nucleotide Repeat Containing Genes THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY 2020-05-14 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-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
EP-1678137-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2006-07-12 EP disclosed
WO-2005037791-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2005-04-28 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 (3 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 GAA 1417/4885CASP6 3264/4885PRMT5 1060/4885
US-20090170923-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 GAA 908/4885CASP6 2539/4885PRMT5 3261/4885
US-20200147069-A1 Compounds for The Reduction of The Deleterious Activity of Extended Nucleotide Repeat Containing Genes NSUN2, RNMT, RRM2B GAA 1007/4885CASP6 2464/4885PRMT5 691/4885

“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.