SCHEMBL1727274

SCHEMBL1727274

CC(C)(C)[Si](OCCOc1cccc(-c2cn3cc(I)ccc3n2)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 5/20 0.41
▸ ALDH1A1 P00352 8/20 0.40
▸ NPC1 O15118 8/20 0.40
▸ RAB9A P51151 8/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ HPGD P15428 5/20 0.40
▸ MAPT P10636 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ APP P05067 3/20 0.39
▸ PKM P14618 5/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CDK5 Q00535 1/20 0.37

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
SCHEMBL1727420 0.89 NPC1 (0.50) ALDH1A3ALDH1A1NPC1RAB9AKDM4E
SCHEMBL3628363 0.84 TLR9 (0.49) ALDH1A3ALDH1A1NPC1RAB9AKDM4E
SCHEMBL2900569 0.81 ALDH1A1 (0.42) ALDH1A3ALDH1A1NPC1RAB9AKDM4E
SCHEMBL1727248 0.79 RAB9A (0.48) ALDH1A3ALDH1A1NPC1RAB9AKDM4E
SCHEMBL2900571 0.73 ALDH1A3 (0.39) ALDH1A3ALDH1A1NPC1RAB9AKDM4E
SCHEMBL2817547 0.72 BACE1 (0.36) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2905529 0.72 APP (0.46) ALDH1A3ALDH1A1NPC1RAB9AKDM4E
SCHEMBL23461686 0.71 MAPK1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6491308 0.70 ALDH1A3 (0.69) ALDH1A3ALDH1A1NPC1RAB9AKDM4E
SCHEMBL6589309 0.70 MAOB (0.47) 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 12 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-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 ALDH1A3 4144/4885ALDH1A1 2065/4885NPC1 172/4885
US-20100249419-A1 UTILIZATION OF NOVEL COMPOUNDS WITH AMYLOID AFFINITY AND METHOD OF PRODUCING THE SAME APBA1, S100A4, APP ALDH1A3 2968/4885ALDH1A1 956/4885NPC1 1367/4885
US-20090252679-A1 Novel Compound Having Affinity for Amyloid APBA1, SAAL1, SLC43A1 ALDH1A3 3326/4885ALDH1A1 1324/4885NPC1 412/4885
US-20120271053-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID APBA1, SAAL1, SLC43A1 ALDH1A3 3326/4885ALDH1A1 1324/4885NPC1 412/4885

“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.

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