SCHEMBL2344006

SCHEMBL2344006

O=C(O)c1cccc(Nc2ncccc2Cl)c1OCC1CO1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 6/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ TOP1 P11387 1/20 0.41
▸ MT-CO2 P00403 1/20 0.41
▸ CLCN2 P51788 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ PLEC Q15149 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1549524 1.00 DHODH (0.52) DHODHSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL2352820 0.90 DHODH (0.45) DHODHSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL2352814 0.90 DHODH (0.45) DHODHSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL1549306 0.81 DHODH (0.59) DHODHSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL5054669 0.76 NPC1 (0.42) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL5054664 0.76 NPC1 (0.42) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL1549279 0.75 SMN1; SMN2 (0.45) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL5173867 0.75 SMN1; SMN2 (0.45) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL1549355 0.75 DHODH (0.66) DHODHSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL2349694 0.72 DHODH (0.50) DHODHSMN1; SMN2GAAALDH1A1MEN1

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
EP-2314585-B1 Condensed benzamide compounds as inhibitors of vanilloid receptor subtype 1 (VR1) activity JAPAN TOBACCO INC (JP) 2012-09-12 — — EP disclosed
US-8008292-B2 Condensed benzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity JAPAN TOBACCO INC. (JP) 2011-08-30 — — US 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 4419/4885SMN1; SMN2 2112/4885GAA 3177/4885

“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.

Send feedback