SCHEMBL11394397

SCHEMBL11394397

C#CCCCCOc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.67
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
LTA4H P09960 2/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
HTR1B P28222 1/20 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
SCHEMBL7214530 0.98 KCNA3 (0.64) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL9442251 0.94 KCNA3 (0.62) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL7364135 0.89 HDAC1 (0.54) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL28904092 0.87 HDAC1 (0.54) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL386609 0.87 KCNA3 (0.58) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL159814 0.86 LTA4H (0.61) KCNA3HDAC1HDAC2LTA4HMAOA
SCHEMBL17934731 0.84 KCNA3 (0.47) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL17934744 0.83 KCNA3 (0.46) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL17934734 0.83 KCNA3 (0.46) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL1490164 0.82 KCNA3 (1.00) KCNA3HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 WO disclosed
US-4245104-A Isoxazolines and isoxazolidines HOFFMANN-LA ROCHE INC. (US) 1981-01-13 US disclosed
EP-0011777-A1 Novel process for the manufacture of thiophene derivatives suited for the manufacture of biotin, process for the manufacture of biotin and novel intermediates in this process F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-06-11 EP 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-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB KCNA3 2650/4885HDAC3 548/4885HDAC4 1669/4885

“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.