SCHEMBL5354053

SCHEMBL5354053

O=[C]Oc1cccc2nc3ccccc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
GLA P06280 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
PTBP1 P26599 1/20 0.50
RCE1 Q9Y256 1/20 0.50
MAPT P10636 3/20 0.45
ACHE P22303 1/20 0.45
NQO2 P16083 4/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 2/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
TLR8 Q9NR97 1/20 0.37

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
Hydrogen Sulfide SCHEMBL28838312 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EGLAHPGD
SCHEMBL5192732 0.80 KMT2A (0.58) ALDH1A1KMT2AKDM4EGLAHPGD
SCHEMBL301216 0.79 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EGLAHPGD
SCHEMBL8643078 0.78 MAPT (0.50) ALDH1A1KMT2AKDM4EGLAHPGD
SCHEMBL240664 0.77 NQO2 (0.57) ALDH1A1KMT2AKDM4EGLAHPGD
SCHEMBL21832127 0.77 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EGLAHPGD
SCHEMBL21832129 0.77 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EGLAHPGD
SCHEMBL21832126 0.77 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EGLAHPGD
SCHEMBL222907 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EGLAHPGD
SCHEMBL28274551 0.77 KMT2A (0.50) ALDH1A1KMT2AKDM4EGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 US 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-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 ALDH1A1 1391/4885KMT2A 649/4885KDM4E 855/4885

“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.