SCHEMBL4499058

SCHEMBL4499058

CN(C)c1ccc(C2=CC3=CNON3C=C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
PGR P06401 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL11547412 0.59 ALDH1A1 (0.79) ALDH1A1ALOX15TSHRHSD17B10MAPT
SCHEMBL124209 0.59 ALDH1A1 (0.79) ALDH1A1ALOX15TSHRHSD17B10MAPT
Hydrochloric Acid SCHEMBL30448295 0.57 ALDH1A1 (0.73) ALDH1A1ALOX15TSHRHSD17B10MAPT
Hydrochloric Acid SCHEMBL31707017 0.57 ALDH1A1 (0.73) ALDH1A1ALOX15TSHRHSD17B10MAPT
SCHEMBL65261 0.56 ALDH1A1 (1.00) ALDH1A1ALOX15TSHRHSD17B10MAPT
Hydrochloric Acid SCHEMBL31597062 0.55 ALDH1A1 (0.69) ALDH1A1ALOX15TSHRHSD17B10MAPT
Methyl Alcohol SCHEMBL6759181 0.55 ALDH1A1 (0.69) ALDH1A1ALOX15TSHRHSD17B10MAPT
SCHEMBL13679719 0.54 ALDH1A1 (0.58) NOTUMALDH1A1ALOX15TSHRHSD17B10
Hydrochloric Acid SCHEMBL379125 0.54 ALDH1A1 (0.92) ALDH1A1ALOX15TSHRHSD17B10MAPT
Hydrochloric Acid SCHEMBL379126 0.54 ALDH1A1 (0.92) ALDH1A1ALOX15TSHRHSD17B10MAPT

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-7632851-B2 Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers NOVARTIS AG (CH) 2009-12-15 US disclosed
US-20060093551-A1 Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers NOVARTIS AG (CH) 2006-05-04 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-20060093551-A1 Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers H1-3, MKI67, H1-5 NOTUM 3595/4885PGR 1447/4885ALDH1A1 551/4885

“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.