SCHEMBL4194257

SCHEMBL4194257

Brc1cccc2c3c([nH]c12)C(NCc1ccccc1)CCC3

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC42 P60953 1/20 0.43
CYP2D6 P10635 2/20 0.42
RB1 P06400 8/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 1/20 0.39
GAA P10253 1/20 0.37
CASP6 P55212 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
BRD3 Q15059 2/20 0.35
GRIN2B Q13224 1/20 0.35

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 SCHEMBL4148128 0.99 RB1 (0.43) CDC42CYP2D6RB1KDM4EHSD17B10
SCHEMBL5454278 0.90 RB1 (0.43) CDC42CYP2D6RB1KDM4EHSD17B10
SCHEMBL5449828 0.89 CDC42 (0.46) CDC42CYP2D6RB1KDM4EHSD17B10
SCHEMBL4191431 0.82 RB1 (0.62) CDC42CYP2D6RB1GAACASP6
SCHEMBL22135853 0.82 RB1 (0.62) CDC42CYP2D6RB1GAACASP6
Hydrochloric Acid SCHEMBL15265307 0.81 RB1 (0.63) CDC42CYP2D6RB1GAACASP6
Hydrochloric Acid SCHEMBL4162946 0.81 RB1 (0.63) CDC42CYP2D6RB1GAACASP6
SCHEMBL15278239 0.81 CDC42 (0.44) CDC42CYP2D6RB1GAACASP6
SCHEMBL16433481 0.80 KDM4E (0.47) CDC42CYP2D6RB1KDM4EHSD17B10
SCHEMBL22135733 0.78 CYP2D6 (0.70) CDC42CYP2D6RB1KCNH2GAA

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 5 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-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

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-20090170923-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 CDC42 1350/4885CYP2D6 994/4885RB1 4460/4885

“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.