SCHEMBL1726366

SCHEMBL1726366

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.56
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
AGER Q15109 1/20 0.45
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A3 P47895 1/20 0.43

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
SCHEMBL1727327 0.97 HRH3 (0.57) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1726212 0.92 HRH3 (0.56) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1727498 0.89 HRH3 (0.56) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1726214 0.89 RAB9A (0.56) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2904661 0.85 ALDH1A3 (0.60) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1727121 0.85 ALDH1A1 (0.44) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1727285 0.83 NPC1 (0.49) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3629663 0.81 TLR9 (0.44) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2903885 0.81 APP (0.57) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2904434 0.81 ALDH1A3 (0.54) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8506930-B2 Compounds having affinity for amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2013-08-13 US disclosed
US-8303935-B2 Alkoxy substituted imidazo[1,2-a]pyridines having affinity for amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2012-11-06 US disclosed
US-20120271053-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2012-10-25 US disclosed
US-8207189-B2 Compound having affinity for amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2012-06-26 US disclosed
WO-2011029443-A8 DEVICE FOR A MULTIPLE SOCKET FOR RECEIVING PLUG CONNECTIONS HOHENADEL THORSTEN (DE) 2012-05-10 WO disclosed
EP-2019103-B1 COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDIPHYSICS CO LTD (JP) 2011-11-30 EP disclosed
EP-2098522-B1 COMPOUNDS HAVING AFFINITY FOR AMYLOID NIHON MEDIPHYSICS CO LTD (JP) 2011-10-19 EP disclosed
US-20100249419-A1 UTILIZATION OF NOVEL COMPOUNDS WITH AMYLOID AFFINITY AND METHOD OF PRODUCING THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-09-30 US disclosed
EP-2216050-A1 UTILIZATION OF NOVEL COMPOUNDS WITH AMYLOID AFFINITY AND METHOD OF PRODUCING THE SAME Nihon Medi-Physics Co., Ltd. (JP) 2010-08-11 EP disclosed
US-20100069640-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS COL, LTD. (JP) 2010-03-18 US disclosed
US-20090252679-A1 Novel Compound Having Affinity for Amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2009-10-08 US disclosed
EP-2098522-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2009-09-09 EP disclosed
EP-2019103-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2009-01-28 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 (4 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-20100069640-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID APP, APBA1, C1QBP HRH3 132/4885NPC1 172/4885ALDH1A1 2065/4885
US-20100249419-A1 UTILIZATION OF NOVEL COMPOUNDS WITH AMYLOID AFFINITY AND METHOD OF PRODUCING THE SAME APBA1, S100A4, APP HRH3 291/4885NPC1 1367/4885ALDH1A1 956/4885
US-20090252679-A1 Novel Compound Having Affinity for Amyloid APBA1, SAAL1, SLC43A1 HRH3 1500/4885NPC1 412/4885ALDH1A1 1324/4885
US-20120271053-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID APBA1, SAAL1, SLC43A1 HRH3 1500/4885NPC1 412/4885ALDH1A1 1324/4885

“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.