SCHEMBL5115089

SCHEMBL5115089

O=C(NN1CCNCC1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LIPE Q05469 1/20 0.49
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
HTR2C P28335 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL3864756 0.85 HTT (0.53) GAALMNASMN1; SMN2LIPEHTT
SCHEMBL2553604 0.85 HTT (0.53) GAALMNASMN1; SMN2LIPEHTT
SCHEMBL30981534 0.82 LIPE (0.47) GAALMNASMN1; SMN2LIPEHTT
SCHEMBL5647759 0.82 LIPE (0.49) GAALMNASMN1; SMN2LIPEHTT
SCHEMBL7138245 0.82 ALDH1A1 (0.48) GAASMN1; SMN2LIPEALDH1A1NPC1
SCHEMBL9523945 0.81 ALDH1A1 (0.50) GAALMNASMN1; SMN2LIPEALDH1A1
SCHEMBL31408148 0.80 LIPE (0.47) GAALMNASMN1; SMN2LIPEHTT
SCHEMBL3673656 0.80 ALDH1A1 (0.49) GAALMNASMN1; SMN2LIPEHTT
SCHEMBL30136114 0.79 LIPE (0.41) GAALIPEALDH1A1CTSLCTSB
SCHEMBL5873672 0.79 GAA (0.55) GAALMNASMN1; SMN2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108936-A Cover plate and the method for manufacturing cover plate 博优国际集团公司 2017-08-29 CN disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 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 (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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 GAA 4506/4885LMNA 3197/4885SMN1; SMN2 3950/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 GAA 4506/4885LMNA 3197/4885SMN1; SMN2 3950/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 GAA 4506/4885LMNA 3197/4885SMN1; SMN2 3950/4885

“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.