SCHEMBL10036508

SCHEMBL10036508

O=[N+]([O-])c1cc2c(cc1OCCCCC(S)CCS)OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ SRC P12931 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PRSS1 P07477 4/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TAAR1 Q96RJ0 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
SCHEMBL10481235 0.76 MAPT (0.50) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL609676 0.73 MAPT (0.36) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL11697163 0.73 MAPT (0.53) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL10036506 0.73 MAOB (0.54) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL10036501 0.71 MAPT (0.36) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL7341085 0.71 ALDH1A1 (0.44) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL6968157 0.71 ALDH1A1 (0.44) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL10036507 0.70 KMT2A (0.39) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL9130814 0.70 MAPT (0.49) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL3022688 0.68 ALDH1A1 (0.57) MEN1KMT2AMAPTL3MBTL1POLB

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 MEN1 3369/4885KMT2A 4093/4885MAPT 3552/4885

“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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