SCHEMBL2904434

SCHEMBL2904434

CCCC[Sn](CCCC)(CCCC)c1ccc2nc(-c3ccc(F)cc3)cn2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 6/20 0.54
APP P05067 3/20 0.49
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PAX8 Q06710 2/20 0.44
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
KDM5A P29375 1/20 0.44
KDM5C P41229 1/20 0.44
KMT2A Q03164 1/20 0.44
TLR8 Q9NR97 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1727285 0.88 NPC1 (0.49) ALDH1A3APPNPC1RAB9AALDH1A1
SCHEMBL1727131 0.85 APP (0.59) APP
SCHEMBL2904661 0.85 ALDH1A3 (0.60) ALDH1A3APPNPC1RAB9AALDH1A1
SCHEMBL1726214 0.84 RAB9A (0.56) ALDH1A3APPNPC1RAB9AALDH1A1
SCHEMBL15940370 0.83 HRH3 (0.43) ALDH1A3APPNPC1RAB9AALDH1A1
SCHEMBL2435107 0.83 HRH3 (0.43) ALDH1A3APPNPC1RAB9AALDH1A1
SCHEMBL1727498 0.83 HRH3 (0.56) APPNPC1RAB9AALDH1A1KDM4E
SCHEMBL1726212 0.83 HRH3 (0.56) ALDH1A3NPC1RAB9AALDH1A1KDM4E
SCHEMBL1727327 0.82 HRH3 (0.57) ALDH1A3NPC1RAB9AALDH1A1KDM4E
SCHEMBL3885936 0.81 CYP3A4 (0.44) ALDH1A3APPNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216994-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-08-26 US disclosed
EP-2216052-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME Nihon Medi-Physics Co., Ltd. (JP) 2010-08-11 EP disclosed
US-20090252680-A1 NOVEL COMPOUND WITH AFFINITY FOR AMYLOID NIHON- MEDI-PHYSICS CO., LTD (JP) 2009-10-08 US disclosed
EP-2098523-A1 NOVEL COMPOUNDS WITH AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2009-09-09 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 (2 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-20100216994-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME APBA1, APP, S100A4 ALDH1A3 2637/4885APP 2/4885NPC1 792/4885
US-20090252680-A1 NOVEL COMPOUND WITH AFFINITY FOR AMYLOID APBA1, APP, SLC7A1 ALDH1A3 3051/4885APP 2/4885NPC1 222/4885

“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.