SCHEMBL5358917

SCHEMBL5358917

CNCC(O)c1ccc(N2CCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HIF1A Q16665 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
BLM P54132 3/20 0.56
HTR1A P08908 2/20 0.56
THPO P40225 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NMUR2 Q9GZQ4 1/20 0.56
CYP2C9 P11712 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ADRB2 P07550 3/20 0.47
ADRB1 P08588 3/20 0.47
ADRA2A P08913 3/20 0.47
ADRB3 P13945 3/20 0.47
ADRA2B P18089 3/20 0.47
ADRA2C P18825 3/20 0.47

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
Hydrochloric Acid SCHEMBL6318176 0.86 ALDH1A1 (0.51) KDM4EALDH1A1HIF1ATDP1BLM
SCHEMBL5358914 0.80 TRIM24 (0.45) KDM4EALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL17373688 0.78 CNR2 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL18941352 0.78 CNR2 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL17379823 0.76 TAAR1 (0.50) KDM4EALDH1A1HIF1ATDP1BLM
SCHEMBL18958920 0.76 CYP1A2 (0.47) KDM4EALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL17379826 0.74 SMN1; SMN2 (0.43) KDM4EALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL17373693 0.74 SMN1; SMN2 (0.43) KDM4EALDH1A1SMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL11453031 0.72 ALDH1A1 (0.48) KDM4EALDH1A1HIF1ATDP1SMN1; SMN2
Oxedrine SCHEMBL17726874 0.72 KDM4E (1.00) KDM4EALDH1A1HIF1ATDP1BLM

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 1391/4885HIF1A 373/4885

“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.