SCHEMBL9906233

SCHEMBL9906233

O=C(CCCCC1CCSS1)Oc1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TARDBP Q13148 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ UBA2 Q9UBT2 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL10036507 0.85 KMT2A (0.39) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL13495590 0.84 KMT2A (0.48) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL9906234 0.79 KMT2A (0.46) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL15034474 0.77 BCHE (0.41) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL9906237 0.76 HSD17B10 (0.38) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL15034449 0.72 BCHE (0.37) HSD17B10KMT2ACYP2C9MEN1NR1I2
SCHEMBL11858337 0.71 HPGD (0.38) KMT2AMEN1ALDH1A1TDP1
SCHEMBL9906238 0.71 KMT2A (0.45) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL9906248 0.71 KMT2A (0.44) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL1527926 0.69 MAPT (0.53) KMT2ACYP2C9MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE INVASC THERAPEUTICS, INC. (US) 2013-06-20 — — US disclosed
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE INVASC THERAPEUTICS, INC. (US) 2013-06-20 — — US disclosed
US-8198317-B2 Methylenedioxy phenolic compounds and their use to treat disease THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-12 — — US disclosed
US-8198317-B2 Methylenedioxy phenolic compounds and their use to treat disease THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-12 — — US disclosed
US-20120041025-A1 Dihydrolipoic Acid Derivatives Comprising Nitric Oxide and Therapeutic Uses Thereof CARMEL BIOSCIENCES, INC. 2012-02-16 — — US disclosed
US-20120041025-A1 Dihydrolipoic Acid Derivatives Comprising Nitric Oxide and Therapeutic Uses Thereof CARMEL BIOSCIENCES, INC. 2012-02-16 — — US disclosed
WO-2010096677-A2 DIHYDROLIPOIC ACID DERIVATIVES COMPRISING NITRIC OXIDE AND THERAPEUTIC USES THEREOF INVASC THERAPEUTICS, INC. (US) 2010-08-26 — — WO disclosed
US-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 — — US disclosed
US-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 — — 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 (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-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, ALOX12 HSD17B10 163/4885KMT2A 1399/4885TARDBP 2677/4885
US-20120041025-A1 Dihydrolipoic Acid Derivatives Comprising Nitric Oxide and Therapeutic Uses Thereof DLD, LDLR, ALOX15 HSD17B10 281/4885KMT2A 4093/4885TARDBP 4436/4885
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, COMT HSD17B10 130/4885KMT2A 1673/4885TARDBP 2670/4885

“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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