SCHEMBL6404663

SCHEMBL6404663

NC(=O)C1CN(c2ccccc2F)C(=O)[N]C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
NOTUM Q6P988 1/20 0.38
MGLL Q99685 1/20 0.37
ALDH1A1 P00352 1/20 0.37
AADAT Q8N5Z0 1/20 0.36
SCN9A Q15858 2/20 0.36
MAPK14 Q16539 1/20 0.35
GRM2 Q14416 1/20 0.35
LMNA P02545 1/20 0.35
FPR2 P25090 1/20 0.35
SCN5A Q14524 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6400903 0.84 MAPT (0.46) KMT2AMEN1SIRT2SIRT1MGLL
SCHEMBL6399713 0.80 MEN1 (0.37) KMT2AMEN1NOTUMALDH1A1AADAT
SCHEMBL6404673 0.78 POLB (0.41) KMT2AMEN1NOTUMALDH1A1LMNA
SCHEMBL6404664 0.76 ALDH1A1 (0.43) KMT2AMEN1MGLLALDH1A1MAPK14
SCHEMBL6399970 0.76 CRBN (0.40) SIRT1ALDH1A1MAPK14SMN1; SMN2
SCHEMBL12285262 0.73 KMT2A (0.47) KMT2AMEN1SIRT2SIRT1NOTUM
SCHEMBL6399373 0.72 KMT2A (0.41) KMT2ANOTUMALDH1A1SMN1; SMN2
SCHEMBL6401079 0.72 HTR1A (0.42) KMT2AMEN1NOTUMMGLLALDH1A1
SCHEMBL6401431 0.71 PARP1 (0.44) NOTUMMGLLALDH1A1GRM2
SCHEMBL20520940 0.67 KMT2A (0.43) KMT2AMEN1SIRT2SIRT1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US claimed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP claimed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 KMT2A 673/4885MEN1 1510/4885SIRT2 1114/4885

“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.