SCHEMBL2820099

SCHEMBL2820099

CCCC[Sn](CCCC)(CCCC)c1ccc2nc(-c3ccc(OCCO)cc3)c(C#N)n2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ HTR1B P28222 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ SMAD3 P84022 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33

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
SCHEMBL2815720 0.86 HRH3 (0.42) HRH3HTR1BHTR2BCYP19A1MAPT
SCHEMBL2816919 0.78 CYP11B1 (0.37) KDM4EALDH1A1CYP11B1CYP11B2MAPT
SCHEMBL1727327 0.76 HRH3 (0.57) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL1726366 0.73 HRH3 (0.56) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL2817817 0.71 TSPO (0.39) KDM4EALDH1A1HPGDHTTCYP11B1
SCHEMBL1726212 0.69 HRH3 (0.56) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL1727498 0.67 HRH3 (0.56) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL1727121 0.67 ALDH1A1 (0.44) HRH3KDM4EALDH1A1HPGDCYP19A1
SCHEMBL3629663 0.66 TLR9 (0.44) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL1726214 0.66 RAB9A (0.56) HRH3KDM4EALDH1A1L3MBTL1MEN1

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 HRH3 21/4885KDM4E 3251/4885ALDH1A1 1923/4885

“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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