SCHEMBL12386751

SCHEMBL12386751

CN(C)c1ccc(/C=C\C=C2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 14/20 0.69
▸ MAPT P10636 13/20 0.69
▸ SNCA P37840 11/20 0.69
▸ METAP1 P53582 2/20 0.60
▸ MEN1 O00255 2/20 0.57
▸ PKM P14618 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ PSMD14 O00487 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ MMP2 P08253 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ PPARG P37231 1/20 0.57
▸ NCOA2 Q15596 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL1454822 1.00 APP (0.69) APPMAPTSNCAMETAP1MEN1
SCHEMBL31022832 0.88 MAPT (0.57) APPMAPTSNCAMETAP1MEN1
SCHEMBL34474369 0.83 MIF (0.65) APPMAPTSNCAMETAP1MEN1
SCHEMBL13104436 0.81 CMA1 (0.63) APPMAPTSNCAMETAP1MEN1
SCHEMBL28404789 0.81 CMA1 (0.63) APPMAPTSNCAMETAP1MEN1
SCHEMBL1454792 0.80 MIF (0.70) APPMAPTSNCAMETAP1MEN1
SCHEMBL29609334 0.80 MIF (0.70) APPMAPTSNCAMETAP1MEN1
Dimethylamine SCHEMBL5741201 0.79 CMA1 (0.56) APPMAPTSNCAMETAP1MEN1
SCHEMBL813820 0.77 MAOB (0.71) APPMAPTSNCAMETAP1MEN1
SCHEMBL5356129 0.77 MAOB (0.71) APPMAPTSNCAMETAP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190492-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TOHOKU UNIVERSITY (JP) 2011-08-04 — — US disclosed
US-20110190492-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TOHOKU UNIVERSITY (JP) 2011-08-04 — — US disclosed
US-7910579-B2 Benzoxazole derivatives TOHOKU UNIVERSITY (JP) 2011-03-22 — — US disclosed
US-20100021385-A1 BENZOXAZOLE DERIVATIVES TOHOKU UNIVERSITY (JP) 2010-01-28 — — US disclosed
US-20090185975-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TOHOKU UNIVERSITY (JP) 2009-07-23 — — US disclosed
US-20090185975-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TOHOKU UNIVERSITY (JP) 2009-07-23 — — US 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 (3 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-20090185975-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TARDBP, LMNA, PMP22 APP 12/4885MAPT 213/4885SNCA 138/4885
US-20100021385-A1 BENZOXAZOLE DERIVATIVES CBX7, KIT, BMX APP 2668/4885MAPT 1385/4885SNCA 3155/4885
US-20110190492-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TARDBP, LMNA, PMP22 APP 12/4885MAPT 213/4885SNCA 138/4885

“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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