SCHEMBL6401431

SCHEMBL6401431

Cc1cccc(N2CC(C(N)=O)C(=O)[N]C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
NOTUM Q6P988 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MGLL Q99685 1/20 0.40
PKM P14618 1/20 0.40
ALOX5 P09917 1/20 0.40
HSD17B10 Q99714 2/20 0.39
RIPK2 O43353 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
HPGD P15428 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL6401079 0.86 HTR1A (0.42) NOTUMMAPTALDH1A1MGLLALOX5
SCHEMBL6404664 0.85 ALDH1A1 (0.43) L3MBTL1MAPTALDH1A1MGLLALOX5
SCHEMBL6400903 0.76 MAPT (0.46) L3MBTL1MAPTALDH1A1MGLL
SCHEMBL6404673 0.76 POLB (0.41) NOTUMMAPTALDH1A1PKMHSD17B10
SCHEMBL6399373 0.76 KMT2A (0.41) NOTUMALDH1A1HSD17B10
SCHEMBL6404663 0.71 KMT2A (0.44) NOTUMALDH1A1MGLLGRM2
SCHEMBL6399970 0.71 CRBN (0.40) ALDH1A1HSD17B10
SCHEMBL11852089 0.70 L3MBTL1 (0.49) PARP1MAOAMAOBL3MBTL1MAPT
SCHEMBL11764405 0.69 NOTUM (0.48) PARP1MAOAMAOBL3MBTL1NOTUM
SCHEMBL17324576 0.65 ROCK2 (0.51) PARP1MAOAMAOBL3MBTL1NOTUM

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 PARP1 3627/4885MAOA 54/4885MAOB 255/4885

“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.