SCHEMBL6401710

SCHEMBL6401710

NC(=O)N1C(=O)[N]C(=O)c2cc(O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.40
ESR1 P03372 8/20 0.36
ESR2 Q92731 6/20 0.36
EGFR P00533 1/20 0.35
MAOA P21397 1/20 0.35
UGT1A1 P22309 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
PABPC1 P11940 1/20 0.34
BLM P54132 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL6401719 0.83 ALDH1A1 (0.37) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL6406364 0.80 HSD17B10 (0.42) ESR1KDM4EALDH1A1MAPTCA1
SCHEMBL6404457 0.79 MEN1 (0.50) P2RX4MEN1KMT2AKDM4EALDH1A1
SCHEMBL6401445 0.78 ALPL (0.32)
SCHEMBL6398044 0.74 SMN1; SMN2 (0.42) MEN1KMT2AKDM4EMAPTCA1
SCHEMBL6406733 0.74 AADAT (0.35) KDM4EALDH1A1MAPTMAPK1
SCHEMBL6403687 0.74 ALPL (0.36) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL6400066 0.65 SCN9A (0.37) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL6400176 0.65 TSHR (0.38) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL6404429 0.64 ALDH1A1 (0.48) P2RX4MEN1KMT2AKDM4EALDH1A1

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 P2RX4 1627/4885ESR1 4515/4885ESR2 4103/4885

“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.