SCHEMBL5730842

SCHEMBL5730842

FN(F)c1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.35
PLCG1 P19174 1/20 0.34
ESR1 P03372 2/20 0.33
TAAR1 Q96RJ0 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
IDO1 P14902 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
SCHEMBL1874023 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1PLCG1ESR1TAAR1
SCHEMBL30631792 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1PLCG1ESR1TAAR1
Hydrochloric Acid SCHEMBL28376010 0.80 ALDH1A1 (0.39) ALDH1A1MAPK1PLCG1ESR1TAAR1
SCHEMBL28036157 0.79 ALDH1A1 (0.35) ALDH1A1MAPK1ESR1TAAR1CA1
SCHEMBL437240 0.78 APOBEC3G (0.33) ALDH1A1GAA
SCHEMBL80035 0.74 ALDH1A1 (0.39) ALDH1A1MAPK1PLCG1ESR1TAAR1
SCHEMBL1168198 0.74 ALDH1A1 (0.41) ALDH1A1MAPK1ESR1TDP1
SCHEMBL30282355 0.74 ALDH1A1 (0.41) ALDH1A1MAPK1ESR1TDP1
SCHEMBL1330156 0.74 ALDH1A1 (0.41) ALDH1A1MAPK1ESR1TDP1
SCHEMBL20186660 0.74 ESR1 (0.35) ALDH1A1MAPK1ESR1TAAR1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724860-B Alkynyl Au (I) organic complex containing pyrazinoimidazole carbene ligand, and preparation method and application thereof 中国科学院理化技术研究所 2024-12-13 CN disclosed
CN-115724860-A Alkynyl Au (I) organic complex containing pyrazinoimidazole carbene ligand as well as preparation method and application thereof 中国科学院理化技术研究所 2023-03-03 CN disclosed
CN-102060779-B Method for preparing 2-aminobenzimidazole derivative UNIV TSINGHUA 2012-07-25 CN disclosed
CN-102060779-A Method for preparing 2-aminobenzimidazole derivative UNIV TSINGHUA 2011-05-18 CN disclosed
EP-1735293-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
US-6716352-B1 TRANSFERRING ACIDIC STRIPPING SOLUTION ACROSS SELECTIVELY PERMEABLE MEMBRANE MEMBRANE EXTRACTION TECHNOLOGY LIMITED (GB) 2004-04-06 US disclosed
EP-1210297-A1 METHOD FOR REMOVING AND RECOVERING AROMATIC AMINES BY USING A NON-POROUS MEMBRANE Membrane extraction Technology Ltd. (GB) 2002-06-05 EP disclosed
WO-2001009042-A1 METHOD FOR REMOVING AND RECOVERING AROMATIC AMINES BY USING A NON-POROUS MEMBRANE MEMBRANE EXTRACTION TECHNOLOGY LIMITED (GB) 2001-02-08 WO 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-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP ALDH1A1 1971/4885MAPK1 2993/4885PLCG1 4793/4885

“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.