SCHEMBL7526992

SCHEMBL7526992

O=[N+]([O-])c1ccc(N2CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 1.00
ADRB1 P08588 1/20 1.00
MAPT P10636 4/20 0.68
HTR7 P34969 2/20 0.66
HTR1A P08908 1/20 0.66
ALDH1A1 P00352 2/20 0.64
POLB P06746 2/20 0.64
RECQL P46063 1/20 0.58
LMNA P02545 2/20 0.57
KCNJ1 P48048 1/20 0.55
KCNH2 Q12809 1/20 0.55
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
CRBN Q96SW2 1/20 0.54

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
SCHEMBL336262 1.00 SIRT6 (1.00) SIRT6ADRB1MAPTHTR7HTR1A
Hydrochloric Acid SCHEMBL1814630 0.98 SIRT6 (0.96) SIRT6ADRB1MAPTHTR7HTR1A
Hydrogen Sulfide SCHEMBL28002215 0.98 SIRT6 (0.96) SIRT6ADRB1MAPTHTR7HTR1A
SCHEMBL6152151 0.98 SIRT6 (0.96) SIRT6ADRB1MAPTHTR7HTR1A
SCHEMBL6151805 0.98 SIRT6 (0.96) SIRT6ADRB1MAPTHTR7HTR1A
SCHEMBL1496058 0.98 SIRT6 (0.96) SIRT6ADRB1MAPTHTR7HTR1A
SCHEMBL27980887 0.95 SIRT6 (0.90) SIRT6ADRB1MAPTHTR7HTR1A
SCHEMBL942183 0.93 SIRT6 (0.87) SIRT6ADRB1MAPTHTR7HTR1A
Hydrochloric Acid SCHEMBL7984519 0.92 SIRT6 (0.84) SIRT6ADRB1MAPTHTR7HTR1A
Propane SCHEMBL27412411 0.92 SIRT6 (0.84) SIRT6ADRB1MAPTHTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128231-A1 Aryl-indane compounds EASTMAN CHEMICAL COMPANY 2002-09-12 US disclosed
WO-2002030915-A2 ARYL-INDANE COMPOUNDS FOR USE AS INHIBITORS OF P-GLYCOPROTEIN MEDIATED TRANSPORT AVLAN LIMITED (GB) 2002-04-18 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-20020128231-A1 Aryl-indane compounds ABCB1, ABCC1, ABCG2 SIRT6 2428/4885ADRB1 1664/4885MAPT 3932/4885

“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.