SCHEMBL5349497

SCHEMBL5349497

[O]C(=O)c1ncc2nc[nH]c2n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC1 Q13547 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ NAMPT P43490 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SYK P43405 1/20 0.30
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL4436717 0.85 HSD17B10 (0.33) HDAC6KDM4EALDH1A1HPGDHTT
SCHEMBL31269349 0.85 HSD17B10 (0.33) HDAC6KDM4EALDH1A1HPGDHTT
SCHEMBL1721310 0.84 GDA (0.39) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7771667 0.84 SLC2A1 (0.37) HDAC6KDM4EALDH1A1HPGDGLA
SCHEMBL19207482 0.80 — —
SCHEMBL6060475 0.80 CTNNB1 (0.30) —
SCHEMBL6046332 0.76 KDM4E (0.31) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL840561 0.72 KDM4E (0.35) KDM4EALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL276943 0.72 KDM4E (0.35) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL30151959 0.71 SYK (0.34) HDAC6KDM4EALDH1A1HPGDHTT

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 HDAC6 45/4885HDAC1 37/4885KDM4E 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.

Send feedback