SCHEMBL3303847

SCHEMBL3303847

[N]=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ TSHR P16473 3/20 0.53
▸ GPR35 Q9HC97 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ TXNRD1 Q16881 2/20 0.52
▸ TXNRD3 Q86VQ6 2/20 0.52
▸ TXNRD2 Q9NNW7 2/20 0.52
▸ CYP1A2 P05177 1/20 0.45
▸ ERN1 O75460 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL11158154 0.84 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1KMT2AMAPT
SCHEMBL13767769 0.84 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1KMT2AMAPT
SCHEMBL203753 0.82 ERN1 (0.59) ALDH1A1TDP1MAPK1KMT2AMAPT
SCHEMBL28029345 0.81 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1KMT2AMAPT
SCHEMBL30929373 0.81 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1KMT2AMAPT
SCHEMBL3303851 0.81 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1KMT2AMAPT
SCHEMBL3870954 0.81 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1KMT2AMAPT
SCHEMBL6410654 0.81 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1KMT2AMAPT
SCHEMBL19623140 0.78 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1KMT2AMAPT
SCHEMBL25288369 0.77 KMT2A (0.65) ALDH1A1TDP1MAPK1KMT2AMAPT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326697-A NAD, hydroxybutyrate dehydrogenase, cystine reductase, cystine indicator dye MILES INC. (US) 1994-07-05 — — US claimed
EP-0348826-B1 Isobenzothiazolone chromogenic thiol indicators and their derivatives MILES INC (US) 1994-04-13 — — EP claimed
US-5187265-A Medical diagnosis MILES INC. (US) 1993-02-16 — — US claimed
US-5187105-A Process for determining thiols using chromogenic benzoisothiazolone derivatives MILES INC. (US) 1993-02-16 — — US claimed
US-5130433-A Indicators for detection of thiol MILES INC. (US) 1992-07-14 — — US claimed
EP-0348826-A2 Isobenzothiazolone chromogenic thiol indicators and their derivatives MILES INC. (US) 1990-01-03 — — EP claimed
US-20180311237-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2018-11-01 — — US disclosed
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2015-01-29 — — US disclosed
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss CASCADE ESTATE LTD. (MU) 2013-10-03 — — US disclosed
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM SUPPORTIVE THERAPEUTICS AG (CH) 2012-08-02 — — US disclosed
US-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2010-04-15 — — US disclosed
EP-2134347-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS Prendergast, Patrick T. (AU) 2009-12-23 — — EP disclosed
US-20090156546-A1 Compositions and methods for modulating the immune system SUPPORTIVE THERAPEUTICS AG (CH) 2009-06-18 — — US disclosed
US-5190863-A Composition for determining the presence or concentration of D-β-hydroxybutyrate MILES INC. (US) 1993-03-02 — — US disclosed
US-5187265-A Medical diagnosis MILES INC. (US) 1993-02-16 — — US disclosed
US-5187105-A Process for determining thiols using chromogenic benzoisothiazolone derivatives MILES INC. (US) 1993-02-16 — — US disclosed
US-5130433-A Indicators for detection of thiol MILES INC. (US) 1992-07-14 — — US disclosed
US-5128457-A Medical diagnosis MILES INC. (US) 1992-07-07 — — US disclosed
EP-0463524-A1 Composition and method of assaying for ketone bodies Bayer Corporation (US) 1992-01-02 — — EP disclosed
EP-0348826-A2 Isobenzothiazolone chromogenic thiol indicators and their derivatives MILES INC. (US) 1990-01-03 — — 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 (6 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-20180311237-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 ALDH1A1 2388/4885TDP1 1133/4885MAPK1 2602/4885
US-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS MTAP, TPMT, MUC1 ALDH1A1 1688/4885TDP1 957/4885MAPK1 2256/4885
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 ALDH1A1 2388/4885TDP1 1133/4885MAPK1 2602/4885
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss SI, MTPN, MUC1 ALDH1A1 2388/4885TDP1 1133/4885MAPK1 2602/4885
US-20090156546-A1 Compositions and methods for modulating the immune system MRE11, XPA, MPL ALDH1A1 3955/4885TDP1 495/4885MAPK1 3125/4885
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM MRE11, XPA, MPL ALDH1A1 3955/4885TDP1 495/4885MAPK1 3125/4885

“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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