SCHEMBL7974791

SCHEMBL7974791

CC(C)(C)OC(=O)C1=NSc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GRM6 O15303 1/20 0.34
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
HPGDS O60760 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL6542401 0.84 TRPA1 (0.39) HSD17B10ALOX15MAPK1ALDH1A1LMNA
SCHEMBL7984059 0.82 TRPA1 (0.38) HSD17B10ALOX15MAPK1ALDH1A1LMNA
SCHEMBL8288 0.80 MAOA (0.38) BCHEMAPTALOX15ALDH1A1LMNA
SCHEMBL3619022 0.75 ALDH1A1 (0.36) BCHEHSD17B10MAPTALDH1A1LMNA
SCHEMBL5836008 0.75 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL8486535 0.74 HSD17B10 (0.40) HSD17B10TP53MAPTALOX15ADRA1A
SCHEMBL6542435 0.74 CA2 (0.34) ALDH1A1LMNA
SCHEMBL9312375 0.71 ADRA2A (0.34) ADRA1AADRA1B
SCHEMBL7382465 0.69 ALDH1A1 (0.37) ALDH1A1LMNAMEN1KMT2A
Pyrrole SCHEMBL11735098 0.69 ALDH1A1 (0.32) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2001-11-01 US disclosed
EP-1009743-A1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER-LAMBERT COMPANY (US) 2000-06-21 EP disclosed
WO-1999012916-A1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER-LAMBERT COMPANY (US) 1999-03-18 WO 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-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB BCHE 3446/4885HSD17B10 3368/4885TP53 2162/4885

“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.