SCHEMBL751826

SCHEMBL751826

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ CA12 O43570 1/20 0.60
▸ CA1 P00915 1/20 0.60
▸ CA2 P00918 1/20 0.60
▸ CA7 P43166 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ CA14 Q9ULX7 1/20 0.60
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HPGD P15428 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ GAA P10253 1/20 0.51

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
SCHEMBL751828 0.90 ALDH1A1 (0.66) HSD11B1ALDH1A1KMT2AMEN1HTT
SCHEMBL752270 0.87 ALDH1A1 (0.86) ALDH1A1CA12CA1CA2CA7
SCHEMBL733442 0.87 CA12 (0.61) HSD11B1ALDH1A1CA12CA1CA2
SCHEMBL752323 0.85 LMNA (0.72) HSD11B1ALDH1A1KMT2AMEN1HTT
SCHEMBL751716 0.85 LMNA (0.72) HSD11B1ALDH1A1KMT2AMEN1HTT
SCHEMBL10670607 0.84 ALDH1A1 (0.67) HSD11B1ALDH1A1CA12CA1CA2
SCHEMBL10717963 0.84 ALDH1A1 (0.67) HSD11B1ALDH1A1CA12CA1CA2
SCHEMBL735124 0.84 LMNA (0.66) HSD11B1ALDH1A1KMT2AMEN1HTT
SCHEMBL752734 0.83 L3MBTL1 (0.65) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL7073997 0.82 F10 (0.61) ALDH1A1KMT2AMEN1HTTSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170234881-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-17 — — US disclosed
US-20170234881-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-17 — — US disclosed
US-8138190-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2012-03-20 — — US disclosed
US-8138190-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2012-03-20 — — US disclosed
US-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AMGEN INC. 2009-07-09 — — US disclosed
US-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AMGEN INC. 2009-07-09 — — US disclosed
US-7524848-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2009-04-28 — — US disclosed
US-7524848-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2009-04-28 — — US disclosed
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses AMGEN INC. 2007-10-25 — — US disclosed
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses AMGEN INC. 2007-10-25 — — 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-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES GPR119, GLP1R, INSR HSD11B1 2477/4885ALDH1A1 655/4885CA12 3695/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR HSD11B1 2477/4885ALDH1A1 655/4885CA12 3695/4885

“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.

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