SCHEMBL23910073

SCHEMBL23910073

O=[N+]([O-])c1ccc(-n2cc(C(F)F)cn2)c(-c2nnn[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CASP3 P42574 2/20 0.32
CASP1 P29466 1/20 0.32
CASP4 P49662 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 1/20 0.32
CASP6 P55212 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
MAPT P10636 2/20 0.31
NOS1 P29475 2/20 0.31
CYP3A4 P08684 2/20 0.31
CAPN9 O14815 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL21071631 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1ALOX12KMT2A
SCHEMBL23909972 0.81
SCHEMBL23910076 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1ALOX12KMT2A
SCHEMBL21071529 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1ALOX12KMT2A
SCHEMBL23909943 0.73 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL23910044 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1ALOX12KMT2A
SCHEMBL2738746 0.73 CYP3A4 (0.47) ALDH1A1KDM4EMEN1ALOX12KMT2A
SCHEMBL21072029 0.71 TLR2 (0.40) ALDH1A1KDM4EMEN1ALOX12KMT2A
SCHEMBL23910026 0.70
SCHEMBL7207777 0.70 TDP1 (0.45) ALDH1A1KDM4EMEN1ALOX12KMT2A

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 485/4885KDM4E 4547/4885MEN1 3195/4885

“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.