SCHEMBL23910013

SCHEMBL23910013

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
LMNA P02545 4/20 0.52
BCHE P06276 1/20 0.48
GAA P10253 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
VCAM1 P19320 2/20 0.45
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
SLC6A9 P48067 1/20 0.35
FFAR2 O15552 1/20 0.35
RECQL P46063 1/20 0.35
XDH P47989 1/20 0.35
HTT P42858 1/20 0.34
ERN1 O75460 1/20 0.34

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
SCHEMBL1612371 0.85 ALDH1A1 (0.43) ALDH1A1LMNABCHEGAASMN1; SMN2
SCHEMBL23910066 0.82 ALDH1A1 (0.54) ALDH1A1LMNABCHEGAASMN1; SMN2
SCHEMBL21071766 0.81 ALDH1A1 (0.52) ALDH1A1LMNABCHEGAASMN1; SMN2
SCHEMBL23910092 0.80 ALDH1A1 (0.51) ALDH1A1LMNABCHEGAASMN1; SMN2
SCHEMBL23909986 0.80 LMNA (0.52) ALDH1A1LMNABCHEGAASMN1; SMN2
SCHEMBL21071846 0.80 LMNA (0.51) ALDH1A1LMNABCHEGAASMN1; SMN2
SCHEMBL23909943 0.80 ALDH1A1 (0.51) ALDH1A1LMNABCHEGAASMN1; SMN2
SCHEMBL31055053 0.76 CREBBP (0.41) SMN1; SMN2MAPT
SCHEMBL1610739 0.75 BCHE (0.41) ALDH1A1LMNABCHEGAASMN1; SMN2
SCHEMBL1610734 0.75 BCHE (0.41) ALDH1A1LMNABCHEGAASMN1; SMN2

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 2967/4885BCHE 2239/4885

“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.