SCHEMBL4187335

SCHEMBL4187335

Cc1ccc2[nH]c3c(c2c1)CCCC3NC1Cc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
CASP6 P55212 1/20 0.59
RB1 P06400 7/20 0.58
PRMT5 O14744 2/20 0.55
SIRT1 Q96EB6 3/20 0.52
RECQL P46063 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
CYP2D6 P10635 2/20 0.49
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CDC42 P60953 1/20 0.47
BRD3 Q15059 1/20 0.46
CDKN1A P38936 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 SCHEMBL4160307 0.99 GAA (0.61) GAACASP6RB1PRMT5SIRT1
SCHEMBL4196044 0.86 CYP2D6 (0.67) GAACASP6RB1CYP2D6KCNH2
SCHEMBL4195660 0.86 CYP2D6 (0.67) GAACASP6RB1CYP2D6KCNH2
SCHEMBL4163592 0.86 CYP2D6 (0.67) GAACASP6RB1CYP2D6KCNH2
SCHEMBL4163723 0.86 RB1 (0.69) GAACASP6RB1PRMT5SIRT1
SCHEMBL4188706 0.86 RB1 (0.78) RB1SIRT1SIRT2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL4165683 0.85 CYP2D6 (0.65) GAACASP6RB1CYP2D6KCNH2
Hydrochloric Acid SCHEMBL4148242 0.85 CYP2D6 (0.65) GAACASP6RB1CYP2D6KCNH2
Hydrochloric Acid SCHEMBL4153425 0.84 RB1 (0.79) GAACASP6RB1SIRT1SIRT2
SCHEMBL16433858 0.84 RB1 (0.59) GAACASP6RB1PRMT5SIRT1

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 GAA 908/4885CASP6 2539/4885RB1 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.