SCHEMBL1013018

SCHEMBL1013018

Cc1ccc(I)c(C)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ TSHR P16473 7/20 0.47
▸ CYP3A4 P08684 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ RECQL P46063 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL29778851 1.00 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL3192684 0.82 ALDH1A1 (0.62) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL18299305 0.80 GRIN2D (0.41) ALDH1A1TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL4427648 0.79 ALDH1A1 (0.71) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL2946228 0.77 TSHR (0.59) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL30313551 0.77 TSHR (0.59) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL19690422 0.75 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL1199723 0.75 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL5206322 0.75 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL31282358 0.75 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4SMN1; 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112313231-B OGA inhibitor compounds 詹森药业有限公司 2023-05-09 — — CN disclosed
EP-3810608-B1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-08-10 — — EP disclosed
CN-112313231-A OGA inhibitor compounds 詹森药业有限公司 2021-02-02 — — CN disclosed
EP-3083554-B1 DIMETHYLBENZOIC ACID COMPOUNDS LILLY CO ELI (US) 2019-03-13 — — EP disclosed
US-10005721-B2 Dimethylbenzoic acid compounds ELI LILLY AND COMPANY (US) 2018-06-26 — — US disclosed
US-10005721-B2 Dimethylbenzoic acid compounds ELI LILLY AND COMPANY (US) 2018-06-26 — — US disclosed
EP-2867218-B1 Dimethyl-benzoic acid compounds useful for the treatment of inflammatory conditions LILLY CO ELI (US) 2017-02-22 — — EP disclosed
EP-2867218-B1 Dimethyl-benzoic acid compounds useful for the treatment of inflammatory conditions LILLY CO ELI (US) 2017-02-22 — — EP disclosed
EP-3083554-A1 DIMETHYLBENZOIC ACID COMPOUNDS Eli Lilly & Company (US) 2016-10-26 — — EP disclosed
US-20160251306-A1 DIMETHYLBENZOIC ACID COMPOUNDS ELI LILLY AND COMPANY 2016-09-01 — — US disclosed
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 — — EP disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 — — US disclosed
CN-101578259-A 1,4 diamino bicyclic retigabine analogues as potassium channel modulators VALEANT PHARMACEUTICALS INT (US) 2009-11-11 — — CN disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 — — WO disclosed
EP-2086925-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS Valeant Pharmaceuticals International (US) 2009-08-12 — — EP disclosed
US-20080234334-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-09-25 — — US disclosed
US-20080234334-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-09-25 — — US disclosed
US-20080234334-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-09-25 — — US disclosed
WO-2008066900-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-06-05 — — WO disclosed
WO-2008066900-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-06-05 — — 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 (4 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-20080234334-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS KCNB2, KCNB1, KCNA1 ALDH1A1 1031/4885TDP1 1051/4885TSHR 3206/4885
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF ALDH1A1 1029/4885TDP1 1494/4885TSHR 2494/4885
US-10005721-B2 Dimethylbenzoic acid compounds PTGER4, EDNRB, EPB41 ALDH1A1 272/4885TDP1 4081/4885TSHR 524/4885
US-20160251306-A1 DIMETHYLBENZOIC ACID COMPOUNDS PTGER4, EDNRB, EPB41 ALDH1A1 272/4885TDP1 4081/4885TSHR 524/4885

“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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