Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Fluorobenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 5/20 | 0.48 |
| ▸ | CES1 | P23141 | 5/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.46 |
| ▸ | BAD | Q92934 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL28144868 | 1.00 | KCNN4 (0.48) | KCNN4RAB9ANPC1CES2CES1 | |
| Fluorobenzene SCHEMBL7243186 | 0.88 | CES2 (0.46) | KCNN4RAB9ANPC1CES2CES1 | |
| Fluorobenzene SCHEMBL5606691 | 0.88 | CES2 (0.46) | KCNN4RAB9ANPC1CES2CES1 | |
| Fluorobenzene SCHEMBL28280264 | 0.88 | ALDH1A1 (0.48) | KCNN4RAB9ANPC1CES2CES1 | |
| Fluorobenzene SCHEMBL10885260 | 0.88 | KCNN4 (0.56) | KCNN4RAB9ANPC1CES2CES1 | |
| Fluorobenzene SCHEMBL9441778 | 0.88 | ALDH1A1 (0.48) | KCNN4RAB9ANPC1CES2CES1 | |
| Fluorobenzene SCHEMBL27399872 | 0.88 | KCNN4 (0.56) | KCNN4RAB9ANPC1CES2CES1 | |
| Fluorobenzene SCHEMBL15544432 | 0.86 | NFE2L2 (0.53) | KCNN4RAB9ANPC1ALDH1A1TSHR | |
| Fluorobenzene SCHEMBL14012524 | 0.86 | — | — | |
| Fluorobenzene SCHEMBL12363 | 0.86 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7030138-B2 | Benzamidine derivatives | SANKYO COMPANY, LIMITED (JP) | 2006-04-18 | — | — | US | disclosed |
| US-20040147555-A1 | Benzamidine derivatives | SANKYO COMPANY, LIMITED (JP) | 2004-07-29 | — | — | US | disclosed |
| EP-1375482-A1 | BENZAMIDINE DERIVATIVE | Sankyo Company, Limited (JP) | 2004-01-02 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040147555-A1 | Benzamidine derivatives | F9, F7, F2 | KCNN4 332/4885RAB9A 422/4885NPC1 4266/4885 |
“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.