SCHEMBL21962283

SCHEMBL21962283

Nc1ccc(F)c(C2OCCO2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
BACE1 P56817 2/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
GFER P55789 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11997144 0.77 KDM1A (0.32) KDM1AKDM1BCYP11B1CYP11B2
SCHEMBL1592114 0.77 KDM1A (0.41) KDM1AKDM1BMAPTGAAALDH1A1
SCHEMBL16433626 0.77 CHRNB2 (0.34) KDM1AKDM1BCHRNB2CHRNA4NPC1
SCHEMBL30739381 0.77 CHRNB2 (0.34) KDM1AKDM1BCHRNB2CHRNA4MAPT
SCHEMBL7921629 0.77 CYP3A4 (0.45) CHRNB2CHRNA4NPC1MAPTKDM4E
SCHEMBL15697531 0.76 KDM1A (0.31) KDM1AKDM1BCYP11B1CYP11B2
SCHEMBL10107187 0.74 PNMT (0.45) CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1031183 0.74 CHRNB2 (0.41) KDM1AKDM1BCHRNB2CHRNA4NPC1
SCHEMBL19134059 0.73 HTR2C (0.38) KDM1AKDM1B
SCHEMBL17103364 0.73

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 6 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
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
CN-105272970-A Raf kinase inhibitor based on chromone structure, and preparation method and uses thereof UNIV CHINA PHARMA 2016-01-27 CN 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 KDM1A 4230/4885KDM1B 4462/4885CHRNB2 4087/4885

“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.