SCHEMBL5353045

SCHEMBL5353045

O=C(c1ccncc1)C(Br)Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.56
NAPRT Q6XQN6 1/20 0.52
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MPO P05164 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2A6 P11509 1/20 0.45
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
LTA4H P09960 1/20 0.43
TSHR P16473 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL7933884 0.82 NAPRT (0.48) GSK3BNAPRTLMNAALDH1A1MEN1
SCHEMBL1887807 0.82 CYP1A2 (0.51) NAPRTLMNAALDH1A1MEN1KMT2A
SCHEMBL9644843 0.82 GSK3B (0.76) GSK3BLMNAALDH1A1CYP1A2HSD17B10
Bromide SCHEMBL4188500 0.80 CYP1A2 (0.50) NAPRTLMNAALDH1A1MEN1KMT2A
SCHEMBL19104772 0.79 CYP1A2 (0.49) NAPRTLMNAALDH1A1MEN1KMT2A
SCHEMBL7428115 0.79 NAPRT (0.45) NAPRTLMNAALDH1A1MEN1KMT2A
SCHEMBL888683 0.76 CYP1A2 (0.55) NAPRTLMNAALDH1A1MEN1KMT2A
SCHEMBL19104771 0.76 CES2 (0.53) GSK3BNAPRTLMNAALDH1A1MEN1
SCHEMBL8740775 0.75 GSK3B (0.60) GSK3BNAPRTLMNAALDH1A1MEN1
SCHEMBL379271 0.75 GSK3B (0.60) GSK3BNAPRTLMNAALDH1A1MEN1

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 3 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
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP 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 GSK3B 1836/4885NAPRT 3940/4885LMNA 4744/4885

“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.