SCHEMBL1727121

SCHEMBL1727121

CCCC[Sn](CCCC)(CCCC)c1ccc2nc(-c3cccc(OCCO)c3)cn2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
KDM4E B2RXH2 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 5/20 0.44
HRH3 Q9Y5N1 4/20 0.44
HPGD P15428 4/20 0.44
THRB P10828 1/20 0.44
ALDH1A3 P47895 2/20 0.43
LMNA P02545 4/20 0.42
PKM P14618 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
DHODH Q02127 1/20 0.40
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1727395 0.91 ALDH1A3 (0.44) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1727327 0.88 HRH3 (0.57) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1726366 0.85 HRH3 (0.56) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3629663 0.83 TLR9 (0.44) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1726212 0.81 HRH3 (0.56) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1727498 0.78 HRH3 (0.56) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1726214 0.78 RAB9A (0.56) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1727248 0.77 RAB9A (0.48) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2904661 0.76 ALDH1A3 (0.60) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1727285 0.76 NPC1 (0.49) ALDH1A1NPC1RAB9AKDM4ESMN1; 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 ALDH1A1 2065/4885NPC1 172/4885RAB9A 2084/4885
US-20100249419-A1 UTILIZATION OF NOVEL COMPOUNDS WITH AMYLOID AFFINITY AND METHOD OF PRODUCING THE SAME APBA1, S100A4, APP ALDH1A1 956/4885NPC1 1367/4885RAB9A 3248/4885
US-20090252679-A1 Novel Compound Having Affinity for Amyloid APBA1, SAAL1, SLC43A1 ALDH1A1 1324/4885NPC1 412/4885RAB9A 1323/4885
US-20120271053-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID APBA1, SAAL1, SLC43A1 ALDH1A1 1324/4885NPC1 412/4885RAB9A 1323/4885

“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.