SCHEMBL23910067

SCHEMBL23910067

N#Cc1cc([N+](=O)[O-])ccc1-n1cc(C(F)(F)F)nn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
ALDH1A1 P00352 5/20 0.51
LMNA P02545 5/20 0.51
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
VCAM1 P19320 1/20 0.44
SLC6A9 P48067 1/20 0.41
AR P10275 4/20 0.39
PTGES O14684 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
PTGS1 P23219 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL21071965 0.82 ALDH1A1 (0.52) BCHEALDH1A1LMNAGAASMN1; SMN2
SCHEMBL20283629 0.81 BCHE (0.61) BCHEALDH1A1LMNAGAASMN1; SMN2
SCHEMBL25388047 0.81 MAPT (0.45) BCHEALDH1A1LMNAGAASMN1; SMN2
SCHEMBL21071766 0.80 ALDH1A1 (0.52) BCHEALDH1A1LMNAGAASMN1; SMN2
SCHEMBL21071984 0.79 ALDH1A1 (0.51) BCHEALDH1A1LMNAGAASMN1; SMN2
SCHEMBL29716768 0.78 PTGS2 (0.44) BCHEALDH1A1MEN1KMT2AAR
SCHEMBL23909950 0.77 LMNA (0.49) BCHEALDH1A1LMNAGAASMN1; SMN2
SCHEMBL23909961 0.76 ALDH1A1 (0.51) BCHEALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7314300 0.76 ALDH1A1 (0.51) BCHEALDH1A1LMNAGAASMN1; SMN2
SCHEMBL23910076 0.74 ALDH1A1 (0.39) BCHEALDH1A1LMNASMN1; SMN2MAPT

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 BCHE 2239/4885ALDH1A1 485/4885LMNA 2967/4885

“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.