SCHEMBL25902175

SCHEMBL25902175

O=[N+]([O-])c1c(F)cc(Br)cc1OC1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.37
▸ HPD P32754 2/20 0.33
▸ MAPT P10636 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ PTGES O14684 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ PROKR1 Q8TCW9 1/20 0.32

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
SCHEMBL31160230 0.87 AKR1A1 (0.32) CYP19A1HPD
SCHEMBL26831181 0.82 CYP19A1 (0.34) CYP19A1MAPTMEN1ALDH1A1KMT2A
SCHEMBL31287367 0.82 CYP19A1 (0.37) CYP19A1MAPTMEN1ALDH1A1KMT2A
SCHEMBL29258438 0.78 VCAM1 (0.39) CYP19A1MEN1KMT2AACACBGRIN2D
SCHEMBL18398574 0.78 MAPT (0.33) HPDMAPTMEN1ALDH1A1KMT2A
SCHEMBL1675629 0.78 MAPT (0.43) MAPTMEN1ALDH1A1KMT2AMAPK1
SCHEMBL26834351 0.77 GRIN2D (0.43) CYP19A1HPDMAPTMEN1ALDH1A1
SCHEMBL1358844 0.76 TDP1 (0.39) MAPTMEN1ALDH1A1KMT2AMAPK1
SCHEMBL31160144 0.75 PDE5A (0.40) CYP19A1ALDH1A1GAA
SCHEMBL26834411 0.75 CYP19A1 (0.33) CYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067648-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 — — US disclosed
US-11787805-B2 N-oxide inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-10-17 — — US disclosed
US-20230242528-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-08-03 — — 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-20230242528-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, CASP1 CYP19A1 4086/4885HPD 2361/4885MAPT 940/4885
US-20240067648-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, CASP1 CYP19A1 4086/4885HPD 2361/4885MAPT 940/4885
US-11787805-B2 N-oxide inhibitors of NLRP3 inflammasome NLRP3, NOD1, CASP1 CYP19A1 4086/4885HPD 2361/4885MAPT 940/4885

“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.

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