SCHEMBL610501

SCHEMBL610501

O=NSCCC(CCCCOc1ccc2c(c1)OCO2)SN=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.45
▸ MAOA P21397 5/20 0.44
▸ TSHR P16473 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ FKBP1A P62942 1/20 0.37
▸ HEXA P06865 1/20 0.36
▸ HEXB P07686 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10036500 0.88 MAOB (0.45) MAOBMAOATSHRMEN1MAPT
SCHEMBL11802724 0.73 MAOB (0.72) MAOBMAOATSHRMEN1MAPT
SCHEMBL11615209 0.72 MAOB (0.60) MAOBMAOATSHRMEN1MAPT
SCHEMBL108114 0.72 MAOB (0.74) MAOBMAOATSHRMEN1MAPT
SCHEMBL11807107 0.70 MAOB (0.52) MAOBMAOATSHRMEN1MAPT
SCHEMBL107322 0.70 MAOB (0.83) MAOBMAOATSHRMEN1MAPT
SCHEMBL28570441 0.70 LMNA (0.52) MAOBMAOATSHRMEN1MAPT
SCHEMBL5679344 0.69 MAOB (0.54) MAOBMAOATSHRMEN1MAPT
SCHEMBL10036506 0.69 MAOB (0.54) MAOBMAOATSHRMEN1MAPT
SCHEMBL13251240 0.69 MAOB (0.60) MAOBMAOATSHRMEN1MAPT

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120041025-A1 Dihydrolipoic Acid Derivatives Comprising Nitric Oxide and Therapeutic Uses Thereof DLD, LDLR, ALOX15 MAOB 828/4885MAOA 918/4885TSHR 4101/4885

“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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