SCHEMBL2820907

SCHEMBL2820907

COc1ccc2nc(-c3ccc(OCCF)cc3)c(I)n2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 3/20 0.43
▸ MTNR1A P48039 2/20 0.43
▸ SLC2A1 P11166 2/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ APP P05067 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ PSMD14 O00487 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ TSPO P30536 1/20 0.37
▸ ALOX5 P09917 1/20 0.36

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
SCHEMBL2905517 0.83 RAB9A (0.45) MTNR1BMTNR1ASLC2A1RAB9AMAPT
SCHEMBL2817233 0.73 APP (0.62) RAB9AMAPTAPPGAAALDH1A1
SCHEMBL22615062 0.70 RAB9A (0.70) RAB9AMAPTGAAALDH1A1MEN1
SCHEMBL2815003 0.69 HRH3 (0.39) RAB9AMAPTGAAALDH1A1NPC1
SCHEMBL3036905 0.69 TSPO (0.56) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL10458227 0.68 APP (0.78) MTNR1BMTNR1ARAB9AMAPTAPP
SCHEMBL19444514 0.68 TSPO (0.56) ALDH1A1TSPO
SCHEMBL3301661 0.68 APP (0.61) RAB9AMAPTAPPGAAALDH1A1
SCHEMBL3627471 0.67 ALDH1A3 (0.51) RAB9AMAPTAPPGAAALDH1A1
SCHEMBL14668468 0.67 FYN (0.53) —

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 MTNR1B 1357/4885MTNR1A 1553/4885SLC2A1 2313/4885

“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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