SCHEMBL23910066

SCHEMBL23910066

N#Cc1cc([N+](=O)[O-])ccc1-n1cc(Cl)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
LMNA P02545 4/20 0.54
VCAM1 P19320 3/20 0.54
BCHE P06276 1/20 0.50
GAA P10253 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
F2 P00734 1/20 0.43
PLAU P00749 1/20 0.43
KLKB1 P03952 1/20 0.43
ELANE P08246 1/20 0.43
FFAR2 O15552 1/20 0.40
SCN9A Q15858 1/20 0.38
HSD17B10 Q99714 1/20 0.36
RECQL P46063 1/20 0.36
XDH P47989 1/20 0.36
CYP19A1 P11511 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL21071766 0.82 ALDH1A1 (0.52) ALDH1A1LMNAVCAM1BCHEGAA
SCHEMBL23910013 0.82 ALDH1A1 (0.52) ALDH1A1LMNAVCAM1BCHEGAA
SCHEMBL23909986 0.81 LMNA (0.52) ALDH1A1LMNAVCAM1BCHEGAA
SCHEMBL21071846 0.81 LMNA (0.51) ALDH1A1LMNAVCAM1BCHEGAA
SCHEMBL23910092 0.81 ALDH1A1 (0.51) ALDH1A1LMNAVCAM1BCHEGAA
SCHEMBL23909943 0.81 ALDH1A1 (0.51) ALDH1A1LMNAVCAM1BCHEGAA
SCHEMBL15331880 0.78 ALDH1A1 (0.49) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL23910035 0.77 KDM4E (0.49) ALDH1A1LMNAGAAMAPTMEN1
SCHEMBL3156146 0.76 LMNA (0.57) ALDH1A1LMNAVCAM1BCHEGAA
SCHEMBL19814271 0.75 ALDH1A1 (0.62) ALDH1A1LMNAVCAM1BCHEGAA

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 485/4885LMNA 2967/4885VCAM1 1377/4885

“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.