SCHEMBL6791612

SCHEMBL6791612

O=C(Cc1ccncn1)Nc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SMO Q99835 1/20 0.51
KDR P35968 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
MTTP P55157 7/20 0.46
APOB P04114 5/20 0.46
PTGS1 P23219 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TEK Q02763 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL6792281 0.89 SMO (0.62) ALDH1A1SMOKDRTRPV1LMNA
SCHEMBL7086824 0.89 LMNA (0.48) ALDH1A1SMOKDRTRPV1CHRNB2
SCHEMBL7086840 0.87 ALDH1A1 (0.44) ALDH1A1KDRTRPV1CHRNB2CHRNB4
SCHEMBL6795383 0.82 LMNA (0.52) ALDH1A1SMOTRPV1LMNAHTT
SCHEMBL6800058 0.82 SMO (0.49) ALDH1A1SMOTRPV1LMNAHTT
SCHEMBL6787209 0.80 PTGS1 (0.51) ALDH1A1SMOLMNAHTTMTTP
SCHEMBL6805191 0.80 SMO (0.51) ALDH1A1SMOLMNAMTTPAPOB
SCHEMBL7086836 0.80 TYK2 (0.47) ALDH1A1TRPV1CHRNB2CHRNB4CHRNA3
SCHEMBL6793985 0.79 SMO (0.60) ALDH1A1SMOKDRTRPV1LMNA
SCHEMBL6794206 0.79 LMNA (0.60) SMOLMNAHTTMTTPAPOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 ALDH1A1 1427/4885SMO 2094/4885KDR 3180/4885

“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.