SCHEMBL4884796

SCHEMBL4884796

CN1CCN(c2ccc(Cl)c(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KDM4E B2RXH2 1/20 0.50
RAD52 P43351 1/20 0.50
KMT2A Q03164 5/20 0.47
WDR5 P61964 4/20 0.47
POLB P06746 1/20 0.47
SIRT6 Q8N6T7 2/20 0.45
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
VCAM1 P19320 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4887016 0.77 MAPT (0.48) MAPTKDM4ERAD52KMT2AWDR5
SCHEMBL1509487 0.77 ADRA2C (0.58) MAPTKDM4EKMT2ASIRT6ALDH1A1
SCHEMBL2461666 0.75 ALDH1A1 (0.66) MAPTKMT2AWDR5SIRT6ALDH1A1
SCHEMBL30464734 0.75 ALDH1A1 (0.66) MAPTKMT2AWDR5SIRT6ALDH1A1
SCHEMBL17555652 0.74 MAPT (0.46) MAPTKDM4EKMT2AWDR5SIRT6
SCHEMBL7803729 0.74 HTT (0.60) MAPTKMT2AWDR5POLBSIRT6
SCHEMBL7169302 0.73 LMNA (0.44) MAPTKMT2AWDR5POLBSIRT6
SCHEMBL28598667 0.72 SMN1; SMN2 (0.47) MAPTKDM4EKMT2AWDR5SIRT6
SCHEMBL23122993 0.72 ADRA2C (0.53) MAPTWDR5SIRT6ALDH1A1LMNA
SCHEMBL29745024 0.72 ADRA2C (0.53) MAPTWDR5SIRT6ALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 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 (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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 MAPT 3251/4885KDM4E 3962/4885RAD52 4033/4885

“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.