SCHEMBL4887016

SCHEMBL4887016

CN1CCN(c2c(Cl)ccc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
SIRT6 Q8N6T7 2/20 0.48
LMNA P02545 2/20 0.43
VCAM1 P19320 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.40
WDR5 P61964 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAD52 P43351 1/20 0.40
BCL2A1 Q16548 1/20 0.39

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
SCHEMBL4884796 0.77 MAPT (0.50) MAPTSIRT6LMNAVCAM1ALDH1A1
SCHEMBL4878660 0.77 KDM4E (0.47) MAPTALDH1A1KMT2APOLBHRH4
SCHEMBL10126859 0.74 SIRT6 (0.54) MAPTSIRT6LMNAVCAM1ALDH1A1
SCHEMBL8894385 0.74 ALDH1A1 (0.71) MAPTSIRT6LMNAVCAM1ALDH1A1
SCHEMBL1509487 0.74 ADRA2C (0.58) MAPTSIRT6LMNAALDH1A1GPR55
SCHEMBL29119458 0.72 HTR2A (0.56) MAPTSIRT6LMNAALDH1A1GPR55
SCHEMBL30778332 0.71 MAPT (0.50) MAPTSIRT6LMNAALDH1A1CYP1A2
SCHEMBL17555900 0.71 MAPT (0.49) MAPTSIRT6LMNACYP1A2CYP2C9
SCHEMBL7803729 0.71 HTT (0.60) MAPTSIRT6LMNAALDH1A1CYP1A2
SCHEMBL8069993 0.70 ALDH1A1 (0.47) MAPTLMNAVCAM1ALDH1A1KMT2A

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 3251/4885SIRT6 1609/4885LMNA 4429/4885

“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.