SCHEMBL20639764

SCHEMBL20639764

O=[N+]([O-])c1ccc(N2CCN(c3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.69
POLB P06746 1/20 0.69
MAPT P10636 6/20 0.68
IGF1R P08069 1/20 0.66
ALDH1A1 P00352 5/20 0.64
ADRB1 P08588 1/20 0.64
LMNA P02545 3/20 0.61
GAA P10253 1/20 0.58
AKR1C3 P42330 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55

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
SCHEMBL15271381 0.90 SIRT6 (0.81) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL6151230 0.90 SIRT6 (0.81) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL11551844 0.87 POLB (0.71) SIRT6POLBMAPTIGF1RALDH1A1
SCHEMBL7048817 0.85 MAPT (0.85) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL12952781 0.83 SIRT6 (0.71) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL1851861 0.82 MAPT (0.89) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL378458 0.82 MAPT (0.96) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL85535 0.82 MEN1 (0.64) POLBMAPTALDH1A1LMNA
SCHEMBL13159166 0.81 SIRT6 (0.69) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL12240580 0.81 SIRT6 (0.74) SIRT6POLBMAPTALDH1A1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
CN-108779094-B Metalloenzyme inhibitor compounds NQP 1598公司 2021-11-16 CN disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 US disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 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 (2 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-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO SIRT6 2001/4885POLB 1777/4885MAPT 2507/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO SIRT6 2001/4885POLB 1777/4885MAPT 2507/4885

“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.