SCHEMBL6400903

SCHEMBL6400903

Cc1ccccc1N1CC(C(N)=O)C(=O)[N]C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIRT1 Q96EB6 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
MEN1 O00255 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MGLL Q99685 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHB4 P54760 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
AADAT Q8N5Z0 1/20 0.36

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
SCHEMBL6399713 0.80 MEN1 (0.37) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6401431 0.76 PARP1 (0.44) MAPTALDH1A1L3MBTL1MGLL
SCHEMBL6399970 0.76 CRBN (0.40) ALDH1A1SIRT1CRBNSMN1; SMN2
SCHEMBL6404673 0.72 POLB (0.41) MAPTALDH1A1KMT2AMEN1
SCHEMBL6399373 0.72 KMT2A (0.41) ALDH1A1KMT2ASMN1; SMN2CA1CA2
SCHEMBL6401079 0.72 HTR1A (0.42) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL6404664 0.71 ALDH1A1 (0.43) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL11842423 0.68 DDB1 (0.46) MAPTALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL28217779 0.67 TSHR (0.49) MAPTALDH1A1TSHRKMT2ASIRT1
SCHEMBL3703566 0.67 SIRT1 (0.42) MAPTALDH1A1TSHRSIRT1SIRT2

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 MAPT 4405/4885ALDH1A1 408/4885TSHR 1304/4885

“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.