SCHEMBL13832350

SCHEMBL13832350

COc1ccc2nc3ccccc3c(NCCCCN(C)CC3CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ CACNA2D1 P54289 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ SLC2A1 P11166 1/20 0.50
▸ APOBEC3A P31941 1/20 0.50
▸ RAD52 P43351 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ APOBEC3G Q9HC16 1/20 0.50
▸ KDM1A O60341 2/20 0.49
▸ GSR P00390 5/20 0.48
▸ BCHE P06276 7/20 0.48
▸ ACHE P22303 7/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MBNL1 Q9NR56 1/20 0.46
▸ TERT O14746 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
SCHEMBL13832348 0.89 SLC2A1 (0.61) KMT2ACACNA2D1NPC1POLBSLC2A1
SCHEMBL13832354 0.89 MEN1 (0.48) KMT2AGSRBCHEACHEMEN1
SCHEMBL13832353 0.89 MEN1 (0.48) KMT2AGSRBCHEACHEMEN1
SCHEMBL15745502 0.89 MEN1 (0.63) KMT2ANPC1POLBRAB9AGSR
SCHEMBL13832351 0.87 SLC2A1 (0.51) KMT2ACACNA2D1NPC1POLBSLC2A1
SCHEMBL13832346 0.87 KMT2A (0.51) KMT2ACACNA2D1NPC1POLBSLC2A1
SCHEMBL15745504 0.85 MEN1 (0.64) KMT2ANPC1POLBRAB9AGSR
SCHEMBL13832412 0.83 KMT2A (0.51) KMT2ACACNA2D1NPC1POLBSLC2A1
SCHEMBL13739251 0.82 MEN1 (0.62) KMT2ANPC1POLBRAB9AGSR
SCHEMBL13741126 0.80 MEN1 (0.51) KMT2AGSRBCHEACHEMEN1

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 11 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-20170000784-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2017-01-05 — — 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-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
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
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 (4 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 KMT2A 4239/4885CACNA2D1 4351/4885NPC1 66/4885
US-20170000784-A1 Autophagy Inhibitors BRAF, HRAS, NRAS KMT2A 399/4885CACNA2D1 3509/4885NPC1 1782/4885
US-20140148451-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 KMT2A 4239/4885CACNA2D1 4351/4885NPC1 66/4885
US-20160137607-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 KMT2A 4239/4885CACNA2D1 4351/4885NPC1 66/4885

“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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