SCHEMBL3789796

SCHEMBL3789796

CCOC(=O)c1cccc(N)c1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HSD17B10 Q99714 3/20 0.64
TSHR P16473 1/20 0.54
MAPT P10636 6/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 2/20 0.53
CDC25B P30305 3/20 0.51
RAB9A P51151 3/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
CACNA1F O60840 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL6656676 0.86 MEN1 (0.68) ALDH1A1HSD17B10TSHRMAPTMEN1
SCHEMBL18285205 0.86 TSHR (0.56) ALDH1A1HSD17B10TSHRMAPTMEN1
SCHEMBL3785486 0.84 TSHR (0.53) ALDH1A1HSD17B10TSHRMAPTMEN1
SCHEMBL17707775 0.84 TSHR (0.53) ALDH1A1HSD17B10TSHRMAPTMEN1
SCHEMBL17707777 0.84 TSHR (0.53) ALDH1A1HSD17B10TSHRMAPTMEN1
SCHEMBL17707781 0.84 TSHR (0.53) ALDH1A1HSD17B10TSHRMAPTMEN1
SCHEMBL27746873 0.83 ALDH1A1 (0.61) ALDH1A1HSD17B10TSHRMAPTMEN1
SCHEMBL23294948 0.82 TSHR (0.51) ALDH1A1HSD17B10TSHRMAPTMEN1
SCHEMBL29588719 0.82 TSHR (0.51) ALDH1A1HSD17B10TSHRMAPTMEN1
SCHEMBL30954344 0.81 MAPT (0.50) ALDH1A1HSD17B10TSHRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227350-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-03-12 US disclosed
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
WO-2018057810-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 WO disclosed
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2010-11-25 US disclosed
WO-2010135571-A1 NOVEL PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
WO-2010135571-A1 NOVEL PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2010-11-25 US disclosed
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2010-11-25 US disclosed
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP 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 (3 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-10227350-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, AKT1 ALDH1A1 4716/4885HSD17B10 3775/4885TSHR 767/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 ALDH1A1 4716/4885HSD17B10 3775/4885TSHR 767/4885
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS PIM2, PIM1, PIM3 ALDH1A1 4648/4885HSD17B10 4414/4885TSHR 3763/4885

“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.