SCHEMBL10036507

SCHEMBL10036507

O=[N+]([O-])c1cc2c(cc1OCCCCC1CCSS1)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ HPGD P15428 1/20 0.36
▸ PPARG P37231 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TARDBP Q13148 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ RECQL P46063 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
SCHEMBL9906233 0.85 HSD17B10 (0.42) KMT2AMEN1L3MBTL1POLBALDH1A1
SCHEMBL10036505 0.75 MAOB (0.50) KMT2AMEN1MAPTPPARGTDP1
SCHEMBL10481235 0.73 MAPT (0.50) KMT2AMEN1L3MBTL1MAPTPOLB
SCHEMBL11697163 0.70 MAPT (0.53) KMT2AMEN1L3MBTL1MAPTPOLB
SCHEMBL10036508 0.70 MEN1 (0.41) KMT2AMEN1L3MBTL1MAPTPOLB
SCHEMBL7341085 0.69 ALDH1A1 (0.44) KMT2AMEN1L3MBTL1MAPTPOLB
SCHEMBL6968157 0.69 ALDH1A1 (0.44) KMT2AMEN1L3MBTL1MAPTPOLB
SCHEMBL9130814 0.67 MAPT (0.49) KMT2AMEN1L3MBTL1MAPTPOLB
SCHEMBL15034448 0.67 MEN1 (0.38) KMT2AMEN1L3MBTL1MAPTPOLB
SCHEMBL3022688 0.66 ALDH1A1 (0.57) KMT2AMEN1L3MBTL1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010017323-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 — — 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 (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-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, ALOX12 KMT2A 1399/4885MEN1 2849/4885L3MBTL1 2073/4885
US-20120041025-A1 Dihydrolipoic Acid Derivatives Comprising Nitric Oxide and Therapeutic Uses Thereof DLD, LDLR, ALOX15 KMT2A 4093/4885MEN1 3369/4885L3MBTL1 1892/4885

“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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