SCHEMBL21962089

SCHEMBL21962089

O=[N+]([O-])c1ccc(C(F)F)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
ALOX12 P18054 2/20 0.45
HSPB1 P04792 2/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 7/20 0.45
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
SLC2A1 P11166 1/20 0.45
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.42
AGTR1 P30556 1/20 0.42
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL11815139 0.81 HSPB1 (0.45) KMT2AMEN1ALDH1A1CYP1A2ALOX12
SCHEMBL397421 0.81 MAPT (0.49) KMT2AMEN1ALDH1A1CYP1A2ALOX12
SCHEMBL19089741 0.78 CYP1A2 (0.49) KMT2AMEN1ALDH1A1CYP1A2ALOX12
SCHEMBL28062195 0.78 GAA (0.45) KMT2AMEN1ALDH1A1CYP1A2ALOX12
SCHEMBL3973866 0.78 ADRA2A (0.46) KMT2AMEN1ALDH1A1CYP1A2ALOX12
Ammonia Solution, Strong SCHEMBL7429890 0.77 ADRA2A (0.45) KMT2AMEN1ALDH1A1CYP1A2ALOX12
SCHEMBL2728549 0.77 CYP1A2 (0.47) KMT2AMEN1ALDH1A1CYP1A2ALOX12
SCHEMBL2728552 0.77 CYP1A2 (0.47) KMT2AMEN1ALDH1A1CYP1A2ALOX12
SCHEMBL1861637 0.77 ADRA2A (0.45) KMT2AMEN1ALDH1A1CYP1A2ALOX12
SCHEMBL9847272 0.75 NPC1 (0.47) KMT2AMEN1ALDH1A1CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
EP-3880658-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113227055-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-06 CN disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KMT2A 4479/4885MEN1 3797/4885ALDH1A1 2123/4885

“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.