SCHEMBL5369223

SCHEMBL5369223

[O]C(=O)c1ccn2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.36
ALDH1A1 P00352 10/20 0.36
HPGD P15428 6/20 0.36
GAA P10253 5/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34

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
SCHEMBL27516303 0.85 FNTA (0.39) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL1490768 0.83 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL9749020 0.82 ALDH1A1 (0.41) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL2631222 0.82 MAPT (0.42) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL9231407 0.82 BAZ2B (0.41) KDM4EALDH1A1HPGDGAAMAPT
Hydrochloric Acid SCHEMBL16468136 0.80 KDM4E (0.41) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL9602766 0.79 FNTA (0.49) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL3261493 0.79 PLA2G2A (0.34) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL6266511 0.79 ALDH1A1 (0.41) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL20226860 0.77 KMT2A (0.45) KDM4EALDH1A1HPGDGAAKMT2A

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 KDM4E 855/4885ALDH1A1 1391/4885HPGD 1479/4885

“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.