SCHEMBL5363025

SCHEMBL5363025

O=C1CN(c2ccc([N+](=O)[O-])cc2)CN1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.56
ADRB1 P08588 1/20 0.56
MAPT P10636 3/20 0.54
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CRBN Q96SW2 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.44
SCN2A Q99250 1/20 0.44
AKR1C3 P42330 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL855195 0.85 SIRT6 (0.64) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL5386571 0.77 ATM (0.45) SIRT6MAPTPOLBALDH1A1KMT2A
SCHEMBL13934667 0.77 MEN1 (0.47) ADRB1POLBMEN1KMT2AAKR1C3
SCHEMBL16701654 0.77 DDB1 (0.44) MAPTPOLBALDH1A1CRBNMEN1
SCHEMBL6201723 0.76 PTPN1 (0.43) ADRB1MAPTPOLBALDH1A1CRBN
SCHEMBL29271601 0.76 SIRT6 (0.44) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL5356318 0.75 ALDH1A1 (0.62) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL6151230 0.75 SIRT6 (0.81) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL15271381 0.75 SIRT6 (0.81) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL29036910 0.74 ADRB1 (0.49) SIRT6ADRB1MAPTALDH1A1CRBN

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
US-7160912-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR.REDDY'S LABORATORIES LTD. (IN) 2007-01-09 US disclosed
US-7160912-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR.REDDY'S LABORATORIES LTD. (IN) 2007-01-09 US disclosed
US-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-04 US disclosed
US-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-04 US disclosed
US-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-04 US disclosed
US-20060293315-A1 Intermediates of novel heterocyclic compounds having antibacterial activity and process for their preparation DR. REDDY'S LABORATORIES LTD. (IN) 2006-12-28 US disclosed
US-20040102494-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2004-05-27 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 (3 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-20040102494-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them CYP51A1, OXA1L, LSS SIRT6 1528/4885ADRB1 977/4885MAPT 4571/4885
US-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity OXA1L, LSS, MRPL21 SIRT6 1445/4885ADRB1 2036/4885MAPT 4373/4885
US-20060293315-A1 Intermediates of novel heterocyclic compounds having antibacterial activity and process for their preparation CYP51A1, OXA1L, LSS SIRT6 1674/4885ADRB1 1946/4885MAPT 4708/4885

“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.