SCHEMBL2352814

SCHEMBL2352814

COC(=O)c1cccc(Nc2ncccc2Cl)c1OCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.45
▸ TOP1 P11387 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ MT-CO2 P00403 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL2352820 1.00 DHODH (0.45) DHODHTOP1SMN1; SMN2ALDH1A1GAA
SCHEMBL2344006 0.90 DHODH (0.52) DHODHTOP1SMN1; SMN2ALDH1A1GAA
SCHEMBL1549524 0.90 DHODH (0.52) DHODHTOP1SMN1; SMN2ALDH1A1GAA
SCHEMBL2349694 0.83 DHODH (0.50) DHODHTOP1SMN1; SMN2ALDH1A1GAA
SCHEMBL1613189 0.78 NPC1 (0.42) SMN1; SMN2ALDH1A1GAAKDM4EKMT2A
SCHEMBL1496794 0.78 NPC1 (0.42) SMN1; SMN2ALDH1A1GAAKDM4EKMT2A
SCHEMBL1548893 0.77 DHODH (0.55) DHODHTOP1SMN1; SMN2ALDH1A1GAA
SCHEMBL2348121 0.77 NPC1 (0.44) SMN1; SMN2ALDH1A1GAAPOLBKMT2A
SCHEMBL2446775 0.76 TYK2 (0.40) SMN1; SMN2ALDH1A1KDM4EKMT2AMAPT
SCHEMBL1549306 0.75 DHODH (0.59) DHODHTOP1SMN1; SMN2ALDH1A1GAA

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-8008292-B2 Condensed benzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity JAPAN TOBACCO INC. (JP) 2011-08-30 — — US disclosed
EP-1777225-A1 FUSED BENZAMIDE COMPOUND AND VANILLOID RECEPTOR 1 (VR1) ACTIVITY INHIBITOR Japan Tobacco, Inc. (JP) 2007-04-25 — — EP disclosed
US-20060035882-A1 CONDENSED BENZAMIDE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VR1) ACTIVITY JAPAN TOBACCO INC. (JP) 2006-02-16 — — 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 (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-20060035882-A1 CONDENSED BENZAMIDE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VR1) ACTIVITY TRPV1, TRPV2, TRPA1 DHODH 4419/4885TOP1 3500/4885SMN1; SMN2 2112/4885

“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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