SCHEMBL10055020

SCHEMBL10055020

COc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(OC)c3)cc2)c1

nearest known ligand 0.94

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.94
RAB9A P51151 8/20 0.94
SMN1; SMN2 Q16637 5/20 0.94
ALDH1A1 P00352 4/20 0.94
TP53 P04637 4/20 0.94
PKM P14618 1/20 0.94
KMT2A Q03164 1/20 0.94
NLRP3 Q96P20 1/20 0.88
RXFP1 Q9HBX9 1/20 0.84
TRPV1 Q8NER1 1/20 0.83
KCNK9 Q9NPC2 2/20 0.77
KCNK3 O14649 1/20 0.77
NFKB1 P19838 1/20 0.72
NFKB2 Q00653 1/20 0.72
RELA Q04206 1/20 0.72
HTT P42858 1/20 0.71
TSHR P16473 1/20 0.70

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
SCHEMBL4256368 0.97 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL4252397 0.94 NPC1 (0.83) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL31179863 0.94 NPC1 (0.83) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL29800540 0.93 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL2176828 0.93 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL4248632 0.92 RAB9A (0.81) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL13213708 0.92 NPC1 (0.81) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL4251080 0.92 NPC1 (0.81) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL4250977 0.92 NPC1 (0.81) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL94789 0.92 NPC1 (0.81) NPC1RAB9ASMN1; SMN2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2023-10-10 US disclosed
US-20210401836-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION EMORY UNIVERSITY (US) 2021-12-30 US disclosed
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2020-04-28 US disclosed
US-20190322633-A1 STROMAL DERIVED FACTOR INHIBITION AND CXCR4 BLOCKADE BLAINE, THEODORE A. 2019-10-24 US disclosed
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction EMORY UNIVERSITY 2018-04-19 US disclosed
EP-2776387-B1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION UNIV EMORY (US) 2017-02-01 EP disclosed
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction METASTATIX, INC. 2016-03-03 US disclosed
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders EMORY UNIVERSITY 2016-01-07 US disclosed
US-9205085-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2015-12-08 US disclosed
US-20140206629-A1 Stromal Derived Factor Inhibition And CXCR4 Blockade RHODE ISLAND HOSPITAL (US) 2014-07-24 US disclosed
US-20140206629-A1 Stromal Derived Factor Inhibition And CXCR4 Blockade RHODE ISLAND HOSPITAL (US) 2014-07-24 US disclosed
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY 2014-02-06 US disclosed
WO-2013070660-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION EMORY UNIVERSITY (US) 2013-05-16 WO disclosed
US-8114884-B2 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY (US) 2012-02-14 US disclosed
US-8114884-B2 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY (US) 2012-02-14 US disclosed
US-8008312-B2 CXCR4 antagonists for the treatment of HIV infection EMORY UNIVERSITY (US) 2011-08-30 US disclosed
US-8008312-B2 CXCR4 antagonists for the treatment of HIV infection EMORY UNIVERSITY (US) 2011-08-30 US disclosed
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 US disclosed
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 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 (10 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-20140206629-A1 Stromal Derived Factor Inhibition And CXCR4 Blockade CXCL12, CXCR4, SDF4 NPC1 2543/4885RAB9A 2714/4885SMN1; SMN2 4282/4885
US-20210401836-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION SHBG, ABAT, GLS NPC1 3425/4885RAB9A 3268/4885SMN1; SMN2 4762/4885
US-20190322633-A1 STROMAL DERIVED FACTOR INHIBITION AND CXCR4 BLOCKADE CXCL12, CXCR4, SDF4 NPC1 2543/4885RAB9A 2714/4885SMN1; SMN2 4282/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS NPC1 3425/4885RAB9A 3268/4885SMN1; SMN2 4762/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 NPC1 505/4885RAB9A 2008/4885SMN1; SMN2 3060/4885
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS NPC1 3425/4885RAB9A 3268/4885SMN1; SMN2 4762/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS NPC1 3425/4885RAB9A 3268/4885SMN1; SMN2 4762/4885
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders CXCR4, CXCL12, CXCR1 NPC1 505/4885RAB9A 2008/4885SMN1; SMN2 3060/4885
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS CXCR4, CXCL12, CXCR1 NPC1 505/4885RAB9A 2008/4885SMN1; SMN2 3060/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS NPC1 3425/4885RAB9A 3268/4885SMN1; SMN2 4762/4885

“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.