SCHEMBL13737438

SCHEMBL13737438

CCNCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.67
▸ TGM2 P21980 1/20 0.63
▸ LMNA P02545 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ KEAP1 Q14145 3/20 0.60
▸ NFE2L2 Q16236 3/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ FOLH1 Q04609 3/20 0.53
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL6223210 0.97 HTT (0.67) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL7364819 0.91 LMNA (0.65) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL1299850 0.89 HTT (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL7877730 0.89 HTT (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.89 HTT (0.81) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL19880178 0.88 HTT (0.56) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL8290406 0.88 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL2402780 0.88 HTT (0.74) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.88 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.88 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544100-B2 Autophagy inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-01-28 — — US disclosed
US-20180290980-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2018-10-11 — — US disclosed
US-20170000784-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2017-01-05 — — US disclosed
US-20160137607-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2016-05-19 — — US disclosed
US-9221760-B2 Autophagy inhibitors VAN ANDEL RESEARCH INSTITUTE (US) 2015-12-29 — — US disclosed
WO-2015085229-A1 AUTOPHAGY INHIBITORS VAN ANDEL RESEARCH INSTITUTE (US) 2015-06-11 — — WO disclosed
US-20140148451-A1 Autophagy Inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2014-05-29 — — US disclosed
WO-2012154879-A2 AUTOPHAGY INHIBITORS VAN ANDEL RESEARCH INSTITUTE (US) 2012-11-15 — — WO 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 (5 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-10544100-B2 Autophagy inhibitors BECN1, ATG7, SQSTM1 HTT 918/4885TGM2 1556/4885LMNA 2419/4885
US-20170000784-A1 Autophagy Inhibitors BRAF, HRAS, NRAS HTT 2443/4885TGM2 3236/4885LMNA 1164/4885
US-20140148451-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 HTT 918/4885TGM2 1556/4885LMNA 2419/4885
US-20160137607-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 HTT 918/4885TGM2 1556/4885LMNA 2419/4885
US-20180290980-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 HTT 918/4885TGM2 1556/4885LMNA 2419/4885

“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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