SCHEMBL6405403

SCHEMBL6405403

NN1CN(c2ccccc2)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.39
CMA1 P23946 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.37
MMP2 P08253 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6401673 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1NPSR1NPC1
SCHEMBL6366167 0.78 MAPT (0.48) CTSGCMA1MEN1KMT2AALDH1A1
SCHEMBL6362998 0.76 MAPT (0.41) MEN1KMT2AALDH1A1NPSR1NPC1
SCHEMBL7097895 0.74 NPC1 (0.43) MEN1KMT2AALDH1A1NPSR1NPC1
SCHEMBL14959574 0.71 NPC1 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL21777356 0.69 NPC1 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL474882 0.67 SIGMAR1 (0.52) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL9723111 0.67 LMNA (0.43) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL26281033 0.67 DRD2 (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11930033 0.67 NPC1 (0.44) CTSGCMA1MEN1KMT2AALDH1A1

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 CTSG 868/4885CMA1 313/4885MEN1 1510/4885

“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.