SCHEMBL2817547

SCHEMBL2817547

Cc1c(-c2ccc(OCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)nc2ccc(I)cn12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.36
▸ NR1H4 Q96RI1 2/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ AKT2 P31751 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32

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
SCHEMBL2818475 0.87 BACE1 (0.34) BACE1NR1H4ALOX5KDM4ERAB9A
SCHEMBL1727420 0.80 NPC1 (0.50) KDM4ERAB9AHRH3NPC1ALDH1A1
SCHEMBL2815003 0.79 HRH3 (0.39) BACE1NR1H4ALOX5KDM4ERAB9A
SCHEMBL1727274 0.72 ALDH1A3 (0.41) KDM4ERAB9AMAPTHRH3NPC1
SCHEMBL3628363 0.70 TLR9 (0.49) KDM4ERAB9ANPC1ALDH1A1PKM
SCHEMBL3682169 0.67 PPARG (0.39) SMN1; SMN2
SCHEMBL3686163 0.66 ALDH1A1 (0.44) KDM4ERAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7630706 0.66 PKM (0.60) RAB9AMAPTGAAPKM
SCHEMBL34466222 0.66 SMYD2 (0.34) KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL2818377 0.65 L3MBTL1 (0.53) RAB9AMAPTGAAALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249418-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-09-30 — — US disclosed
EP-2213672-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID Nihon Medi-Physics Co., Ltd. (JP) 2010-08-04 — — 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 (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-20100249418-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID APP, APBA1, C1QBP BACE1 4/4885NR1H4 1853/4885ALOX5 3691/4885

“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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