SCHEMBL23910092

SCHEMBL23910092

CC(C)c1cnn(-c2ccc([N+](=O)[O-])cc2C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
LMNA P02545 5/20 0.51
GAA P10253 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
BCHE P06276 1/20 0.47
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
VCAM1 P19320 2/20 0.44
RECQL P46063 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
ELANE P08246 1/20 0.35
FFAR2 O15552 1/20 0.35
XDH P47989 1/20 0.34
HTT P42858 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
SCHEMBL23909943 0.88 ALDH1A1 (0.51) ALDH1A1LMNAGAASMN1; SMN2BCHE
SCHEMBL23910066 0.81 ALDH1A1 (0.54) ALDH1A1LMNAGAASMN1; SMN2BCHE
SCHEMBL21071846 0.81 LMNA (0.51) ALDH1A1LMNAGAASMN1; SMN2BCHE
SCHEMBL23909986 0.81 LMNA (0.52) ALDH1A1LMNAGAASMN1; SMN2BCHE
SCHEMBL21071766 0.80 ALDH1A1 (0.52) ALDH1A1LMNAGAASMN1; SMN2BCHE
SCHEMBL23910013 0.80 ALDH1A1 (0.52) ALDH1A1LMNAGAASMN1; SMN2BCHE
SCHEMBL23909998 0.79 KDM4E (0.46) ALDH1A1LMNAGAAMAPTMEN1
SCHEMBL21706148 0.75 CREBBP (0.41) ALDH1A1SMN1; SMN2MAPTIRAK4
SCHEMBL20283629 0.74 BCHE (0.61) ALDH1A1LMNAGAASMN1; SMN2BCHE
SCHEMBL3156146 0.74 LMNA (0.57) ALDH1A1LMNAGAASMN1; SMN2BCHE

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 2967/4885GAA 521/4885

“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.