SCHEMBL4196304

SCHEMBL4196304

CCCNC1CCCc2c1[nH]c1ccccc21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RB1 P06400 7/20 0.62
CDC42 P60953 1/20 0.58
GAA P10253 1/20 0.57
CASP6 P55212 1/20 0.57
PRMT5 O14744 2/20 0.56
BRD3 Q15059 4/20 0.55
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
CYP2D6 P10635 2/20 0.46
KCNH2 Q12809 1/20 0.45

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 SCHEMBL4160613 0.99 RB1 (0.63) RB1CDC42GAACASP6PRMT5
SCHEMBL4192442 0.86 RB1 (0.58) RB1CDC42GAACASP6PRMT5
Hydrochloric Acid SCHEMBL4162023 0.85 RB1 (0.59) RB1CDC42GAACASP6PRMT5
SCHEMBL4192405 0.85 RB1 (0.60) RB1CDC42GAACASP6PRMT5
SCHEMBL12922440 0.85 CDC42 (0.82) RB1CDC42GAACASP6PRMT5
Hydrochloric Acid SCHEMBL4157308 0.84 RB1 (0.60) RB1CDC42GAACASP6PRMT5
SCHEMBL2320201 0.82 RB1 (0.70) RB1CDC42GAACASP6BRD3
SCHEMBL22135853 0.82 RB1 (0.62) RB1CDC42GAACASP6BRD3
SCHEMBL4191431 0.82 RB1 (0.62) RB1CDC42GAACASP6BRD3
SCHEMBL31497396 0.81 CDC42 (0.57) RB1CDC42GAACASP6PRMT5

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 6 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
EP-1658068-B1 NOVEL CYCLOALKYL[B] CONDENSED INDOLES SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP 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 RB1 4460/4885CDC42 1350/4885GAA 908/4885

“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.