Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.44 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | NT5E | P21589 | 1/20 | 0.64 |
| ▸ | ACHE | P22303 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11782818 | 0.91 | TSHR (0.78) | ALDH1A1TSHRNT5EACHEKMT2A | |
| SCHEMBL11821857 | 0.91 | TSHR (0.78) | ALDH1A1TSHRNT5EACHEKMT2A | |
| SCHEMBL8421197 | 0.91 | TSHR (0.78) | ALDH1A1TSHRNT5EACHEKMT2A | |
| SCHEMBL31333160 | 0.82 | CYP1A2 (0.55) | ALDH1A1TSHRACHEKMT2APAX8 | |
| 4-Chloroaniline SCHEMBL2779349 | 0.82 | ALDH1A1 (0.64) | ALDH1A1TSHRNT5EACHEKMT2A | |
| Aniline SCHEMBL5163820 | 0.81 | ALDH1A1 (0.63) | ALDH1A1TSHRNT5EACHEL3MBTL1 | |
| Toluene SCHEMBL27786057 | 0.81 | TSHR (0.69) | ALDH1A1TSHRNT5EACHEKMT2A | |
| Hydroxyamine SCHEMBL599912 | 0.80 | ALDH1A1 (0.58) | ALDH1A1TSHRNT5EL3MBTL1GAA | |
| Hydrazine SCHEMBL8861759 | 0.80 | ALDH1A1 (0.58) | ALDH1A1TSHRNT5EL3MBTL1GAA | |
| Fluoromethane SCHEMBL20577007 | 0.80 | GAA (0.56) | ALDH1A1TSHRNT5EKMT2AL3MBTL1 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7449571-B2 | Halogenated aminoquinolines and oligonucleotides containing the same | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2008-11-11 | — | — | US | disclosed |
| US-20060281907-A1 | Halogenated aminoquinolines and methods for forming DNA triplexes | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2006-12-14 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060281907-A1 | Halogenated aminoquinolines and methods for forming DNA triplexes | POLQ, DDX5, DDX17 | EGFR 3133/4885ERBB2 2782/4885ALDH1A1 3878/4885 |
“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.