SCHEMBL2821698

SCHEMBL2821698

CCCC[Sn](CCCC)(CCCC)c1ccc2nc(-c3ccc(F)cc3)c(C)n2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 5/20 0.44
▸ CYP11B2 P19099 5/20 0.44
▸ GABRA1 P14867 3/20 0.39
▸ GABRB2 P47870 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL2817817 0.88 TSPO (0.39) CYP11B1CYP11B2MAPTTP53KDM4E
SCHEMBL2815720 0.82 HRH3 (0.42) MAPT
SCHEMBL2904434 0.76 ALDH1A3 (0.54) CYP11B1CYP11B2MAPTKDM4ENPC1
SCHEMBL2430192 0.75 CYP3A4 (0.43) CYP11B1CYP11B2MAPK14
SCHEMBL2817090 0.72 CYP11B1 (0.53) CYP11B1CYP11B2GABRA1GABRB2MAPT
SCHEMBL1096789 0.71 HTR7 (0.41) HDAC1
SCHEMBL25269983 0.68 GAA (0.48) MAPTTP53KDM4E
SCHEMBL22627469 0.67 CYP11B1 (0.56) CYP11B1CYP11B2GABRA1GABRB2MAPT
SCHEMBL22627410 0.67 NPC1 (0.72) CYP11B1CYP11B2MAPTPOLBNR1H4
SCHEMBL13177316 0.65 TP53 (0.62) CYP11B1CYP11B2GABRA1GABRB2MAPT

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 CYP11B1 2794/4885CYP11B2 3185/4885GABRA1 1989/4885

“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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