SCHEMBL1941836

SCHEMBL1941836

O=S(=O)(O)Nc1ccc2c(C3CCCCC3)nn(Cc3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.46
CHRNA7 P36544 2/20 0.43
ADORA1 P30542 11/20 0.42
ADORA3 P0DMS8 3/20 0.42
ADORA2A P29274 2/20 0.41
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KCNJ6 P48051 2/20 0.37
KCNJ5 P48544 2/20 0.37
KCNJ3 P48549 2/20 0.37
CNR2 P34972 2/20 0.37

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
SCHEMBL1939148 0.80 SLC22A12 (0.49) SLC22A12CHRNA7ADORA1ADORA3ADORA2A
SCHEMBL1940540 0.79 GRM4 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL2306802 0.77 SLC22A12 (0.50) SLC22A12CHRNA7ADORA1ADORA3ADORA2A
SCHEMBL1942089 0.74 CNR2 (0.45) SLC22A12ADORA1ADORA3ADORA2ACNR2
SCHEMBL2305448 0.74 SLC22A12 (0.55) SLC22A12ADORA1ADORA3ADORA2AKCNJ6
SCHEMBL1941016 0.73 CNR1 (0.46) SLC22A12ADORA1ADORA3ADORA2ACNR2
SCHEMBL27983382 0.71 CNR1 (0.52) SLC22A12ALDH1A1SMN1; SMN2CNR2
SCHEMBL1940935 0.69 CA12 (0.44) SLC22A12ADORA1ADORA3ADORA2ACNR2
SCHEMBL1940064 0.68 SLC22A12 (0.46) SLC22A12ADORA1ADORA3ADORA2A
SCHEMBL5188426 0.68 GRM4 (0.39) SLC22A12CHRNA7ADORA1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173679-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2012-05-08 US disclosed
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2011-09-29 US disclosed
US-7977364-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2011-07-12 US disclosed
EP-1812404-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS THERAMEX (MC) 2011-06-15 EP disclosed
US-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERAMEX (FR) 2009-01-22 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 (2 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-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents ESR1, ESR2, GPER1 SLC22A12 3816/4885CHRNA7 706/4885ADORA1 724/4885
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS ESR1, ESR2, GPER1 SLC22A12 3816/4885CHRNA7 706/4885ADORA1 724/4885

“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.