SCHEMBL5386571

SCHEMBL5386571

O=C1CN(c2ccc([N+](=O)[O-])c(F)c2)CN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 11/20 0.41
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.41
PARP1 P09874 1/20 0.41
TNK2 Q07912 1/20 0.41
TNK1 Q13470 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
SIRT6 Q8N6T7 3/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5363025 0.77 SIRT6 (0.56) TDP1MAPTALDH1A1LMNASIRT6
SCHEMBL23538613 0.75 ALDH1A1 (0.54) ATMTDP1MAPTALDH1A1CYP1A2
SCHEMBL16993799 0.75 MAPT (0.69) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL30416098 0.75 HPGD (0.68) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
Hydrochloric Acid SCHEMBL10360257 0.74 MAPT (0.68) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL5371824 0.74 ALDH1A1 (0.41) TDP1MAPTALDH1A1CYP1A2RECQL
SCHEMBL5356318 0.73 ALDH1A1 (0.62) MAPTALDH1A1PARP1TNK2TNK1
SCHEMBL2589998 0.72 MAPT (0.69) TDP1MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL24267633 0.72 SIRT6 (0.69) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL31327888 0.72 ATM (0.45) ATMTDP1MAPTALDH1A1CYP1A2

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-7183301-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2007-02-27 US disclosed
US-7030148-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2006-04-18 US disclosed
US-20040059120-A1 Novel heterocyclic compounds having antibacterial activity: Process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES INC. 2004-03-25 US disclosed
EP-1345913-A2 HETEROCYCLIC COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2003-09-24 EP disclosed
WO-2002051819-A9 HETEROCYCLIC COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2003-08-07 WO disclosed
US-20030065175-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION 2003-04-03 US disclosed
WO-2002051819-A2 HETEROCYCLIC COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2002-07-04 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 (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-20030065175-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them MRPL21, Q6ZSR9, ZYX ATM 4651/4885TDP1 1945/4885MAPT 503/4885
US-20040059120-A1 Novel heterocyclic compounds having antibacterial activity: Process for their preparation and pharmaceutical compositions containing them MRPL21, Q6ZSR9, ZYX ATM 4596/4885TDP1 2290/4885MAPT 604/4885

“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.