SCHEMBL6860871

SCHEMBL6860871

C[C@@H]1CN[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.52
AR P10275 7/20 0.48
LMNA P02545 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 2/20 0.48
PGR P06401 2/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX12 P18054 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
PDE4D Q08499 1/20 0.48
MAPT P10636 3/20 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
SCHEMBL6860876 1.00 SIRT6 (0.52) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL6860868 1.00 SIRT6 (0.52) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL3316000 0.80 ALDH1A1 (0.53) SIRT6LMNASMN1; SMN2KMT2ANPSR1
SCHEMBL3315996 0.80 ALDH1A1 (0.53) SIRT6LMNASMN1; SMN2KMT2ANPSR1
SCHEMBL3316004 0.80 ALDH1A1 (0.53) SIRT6LMNASMN1; SMN2KMT2ANPSR1
SCHEMBL2795693 0.77 SIRT6 (0.58) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL2795699 0.77 SIRT6 (0.58) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL5650841 0.76 SIRT6 (0.60) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL14367271 0.76 SIRT6 (0.60) SIRT6ARLMNASMN1; SMN2CYP3A4
SCHEMBL5651700 0.76 SIRT6 (0.60) SIRT6ARLMNASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US claimed

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-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 SIRT6 268/4885AR 2/4885LMNA 1602/4885

“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.