SCHEMBL23910076

SCHEMBL23910076

O=[N+]([O-])c1ccc(-n2cc(C(F)(F)F)nn2)c(-c2nnn[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
AR P10275 1/20 0.36
KEAP1 Q14145 3/20 0.36
NFE2L2 Q16236 3/20 0.36
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
BCHE P06276 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CASP3 P42574 2/20 0.33
ALOX12 P18054 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CASP1 P29466 1/20 0.33
CASP4 P49662 1/20 0.33
CASP7 P55210 1/20 0.33
CASP9 P55211 1/20 0.33

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
SCHEMBL21071529 0.85 ALDH1A1 (0.41) ALDH1A1MEN1NPC1KMT2ARAB9A
SCHEMBL21071631 0.83 ALDH1A1 (0.41) ALDH1A1MEN1NPC1KMT2ARAB9A
SCHEMBL21072029 0.82 TLR2 (0.40) ALDH1A1MEN1NPC1KMT2ARAB9A
SCHEMBL23910114 0.81
SCHEMBL23910044 0.80 ALDH1A1 (0.38) ALDH1A1MEN1NPC1KMT2ARAB9A
SCHEMBL25388047 0.77 MAPT (0.45) ALDH1A1MEN1KMT2AARKEAP1
SCHEMBL23910073 0.76 ALDH1A1 (0.40) ALDH1A1MEN1NPC1KMT2AKDM4E
SCHEMBL23910067 0.74 BCHE (0.58) ALDH1A1MEN1NPC1KMT2ARAB9A
SCHEMBL23910124 0.74 KDM4E (0.36) ALDH1A1MEN1NPC1KMT2ARAB9A
SCHEMBL29716768 0.73 PTGS2 (0.44) ALDH1A1MEN1NPC1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 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 (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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 ALDH1A1 485/4885MEN1 3195/4885NPC1 2300/4885

“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.