SCHEMBL3816007

SCHEMBL3816007

CN(C)CCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.76
KMT2A Q03164 10/20 0.76
L3MBTL1 Q9Y468 3/20 0.76
RAB9A P51151 2/20 0.76
MAPK1 P28482 2/20 0.76
MAPT P10636 5/20 0.72
NPC1 O15118 2/20 0.72
AVPR1A P37288 1/20 0.72
CRHBP P24387 1/20 0.63
CRHR2 Q13324 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
HEXA P06865 1/20 0.58
HEXB P07686 1/20 0.58
TERT O14746 2/20 0.56
ALDH1A1 P00352 5/20 0.55
LMNA P02545 4/20 0.55
POLB P06746 3/20 0.55
KDM4E B2RXH2 2/20 0.55
PABPC1 P11940 2/20 0.55
BRD1 O95696 3/20 0.55

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
SCHEMBL11485650 0.84 MEN1 (0.86) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7732734 0.84 MEN1 (1.00) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL28739194 0.84 MEN1 (0.77) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL29655588 0.84 MEN1 (0.77) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL14463957 0.82 MEN1 (0.61) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL28415797 0.82 MEN1 (0.82) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL23009270 0.82 MEN1 (0.78) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL28198224 0.81 MEN1 (0.86) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL29582123 0.81 MEN1 (0.62) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL6311388 0.81 MEN1 (0.81) MEN1KMT2AL3MBTL1RAB9AMAPK1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878984-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2018-01-30 US disclosed
US-9878984-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2018-01-30 US disclosed
US-9878984-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2018-01-30 US disclosed
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2016-03-10 US disclosed
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2016-03-10 US disclosed
US-20140378503-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY 2014-12-25 US disclosed
US-20140378503-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY 2014-12-25 US disclosed
US-20140378503-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY 2014-12-25 US disclosed
US-8829025-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2014-09-09 US disclosed
US-8829025-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2014-09-09 US disclosed
US-20130225634-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2013-08-29 US disclosed
US-20130225634-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2013-08-29 US disclosed
US-8420665-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2013-04-16 US disclosed
US-8420665-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2013-04-16 US disclosed
US-8420665-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2013-04-16 US disclosed
US-20100303719-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2010-12-02 US disclosed
US-20100303719-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2010-12-02 US disclosed
US-20100303719-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2010-12-02 US disclosed
WO-2009089537-A2 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2009-07-16 WO disclosed
WO-2009089537-A2 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2009-07-16 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-20140378503-A1 ANTI-CANCER COMPOUNDS TP53, MKI67, MYC MEN1 988/4885KMT2A 1803/4885L3MBTL1 1481/4885
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS MYC, NME2, TP53 MEN1 314/4885KMT2A 2381/4885L3MBTL1 4109/4885
US-20100303719-A1 ANTI-CANCER COMPOUNDS TP53, MKI67, MYC MEN1 988/4885KMT2A 1803/4885L3MBTL1 1481/4885
US-20130225634-A1 ANTI-CANCER COMPOUNDS TP53, MKI67, MYC MEN1 988/4885KMT2A 1803/4885L3MBTL1 1481/4885

“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.