SCHEMBL5356318

SCHEMBL5356318

O=C1CN(c2ccc([N+](=O)[O-])cc2F)CN1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
KMT2A Q03164 2/20 0.62
LMNA P02545 4/20 0.53
MAPT P10636 4/20 0.48
THRB P10828 1/20 0.48
POLB P06746 2/20 0.46
HIF1A Q16665 1/20 0.41
SLC6A5 Q9Y345 3/20 0.41
SLC6A9 P48067 2/20 0.41
GAA P10253 2/20 0.41
PARP1 P09874 2/20 0.41
TNK1 Q13470 2/20 0.41
TNK2 Q07912 1/20 0.41
DPP4 P27487 1/20 0.41
MEN1 O00255 1/20 0.39
MAPK1 P28482 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
SCHEMBL5653509 0.88 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL30738811 0.88 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL5371824 0.81 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL14464189 0.80 ALDH1A1 (0.79) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL5245525 0.79 ALDH1A1 (0.71) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL14580067 0.78 ALDH1A1 (0.56) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL7814507 0.77 ALDH1A1 (0.66) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL4921368 0.77 ALDH1A1 (0.75) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL3042630 0.77 ALDH1A1 (1.00) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL29493728 0.77 ALDH1A1 (0.69) ALDH1A1KMT2ALMNAMAPTTHRB

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 ALDH1A1 693/4885KMT2A 4466/4885LMNA 3625/4885
US-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity OXA1L, LSS, MRPL21 ALDH1A1 1398/4885KMT2A 4439/4885LMNA 4052/4885
US-20060293315-A1 Intermediates of novel heterocyclic compounds having antibacterial activity and process for their preparation CYP51A1, OXA1L, LSS ALDH1A1 927/4885KMT2A 4597/4885LMNA 3432/4885

“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.