SCHEMBL2373629

SCHEMBL2373629

O=C(/C=C/c1ccc(C(F)(F)F)nc1)NCc1ccc(-c2cncnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
POLB P06746 1/20 0.48
NAMPT P43490 3/20 0.47
TRPV1 Q8NER1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
GSK3B P49841 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL1124280 1.00 KDM1A (0.48) KDM1AHDAC6POLBNAMPTTRPV1
SCHEMBL2375035 0.89 POLB (0.62) HDAC6POLBNAMPTSMN1; SMN2KDM4E
SCHEMBL2375039 0.89 POLB (0.62) HDAC6POLBNAMPTSMN1; SMN2KDM4E
SCHEMBL1124352 0.87 POLB (0.53) KDM1AHDAC6POLBSMN1; SMN2KDM4E
SCHEMBL2374022 0.82 NAMPT (0.50) HDAC6POLBNAMPTTRPV1SMN1; SMN2
SCHEMBL1124141 0.82 NAMPT (0.50) HDAC6POLBNAMPTTRPV1SMN1; SMN2
SCHEMBL16055701 0.79 KDM4E (0.52) HDAC6NAMPTTRPV1SMN1; SMN2KDM4E
SCHEMBL16055702 0.79 KDM4E (0.52) HDAC6NAMPTTRPV1SMN1; SMN2KDM4E
SCHEMBL1124180 0.76 KDM4E (0.62) KDM1AHDAC6POLBNAMPTSMN1; SMN2
SCHEMBL3776096 0.73 TRPV1 (0.49) TRPV1

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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 KDM1A 1067/4885HDAC6 3/4885POLB 1882/4885

“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.