SCHEMBL3363253

SCHEMBL3363253

O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.82
LMNA P02545 2/20 0.82
TDP1 Q9NUW8 1/20 0.82
RAB9A P51151 6/20 0.74
NPC1 O15118 4/20 0.74
ALDH1A1 P00352 3/20 0.74
HPGD P15428 2/20 0.74
MAPT P10636 2/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
CYP2C9 P11712 1/20 0.71
TSHR P16473 1/20 0.71
CYP1A2 P05177 3/20 0.68
ADRA2A P08913 1/20 0.68
MAOA P21397 1/20 0.68
SLC6A2 P23975 1/20 0.68
HTR2C P28335 1/20 0.68
SLC6A4 P31645 1/20 0.68
HTR2B P41595 1/20 0.68
SMN1; SMN2 Q16637 4/20 0.65

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
SCHEMBL25970319 0.95 KDM4E (0.74) KDM4ELMNATDP1RAB9ANPC1
SCHEMBL31156436 0.89 KDM4E (0.74) KDM4ELMNATDP1RAB9ANPC1
SCHEMBL8744889 0.87 NPC1 (0.71) KDM4ELMNATDP1RAB9ANPC1
SCHEMBL9638336 0.84 CYP2C9 (0.87) KDM4ELMNATDP1RAB9ANPC1
SCHEMBL14082284 0.84 KDM4E (0.70) KDM4ELMNATDP1RAB9ANPC1
SCHEMBL806014 0.82 CYP1A2 (1.00) KDM4ELMNATDP1RAB9ANPC1
SCHEMBL5909380 0.81 KDM4E (0.65) KDM4ELMNATDP1RAB9ANPC1
SCHEMBL14382026 0.81 KDM4E (0.63) KDM4ELMNATDP1RAB9ANPC1
SCHEMBL5909377 0.81 KDM4E (0.65) KDM4ELMNATDP1RAB9ANPC1
SCHEMBL5909376 0.81 KDM4E (0.65) KDM4ELMNATDP1RAB9ANPC1

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-9402850-B2 BAX agonist, compositions, and methods related thereto EMORY UNIVERSITY (US) 2016-08-02 US disclosed
US-9402850-B2 BAX agonist, compositions, and methods related thereto EMORY UNIVERSITY (US) 2016-08-02 US disclosed
US-20150250793-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 US disclosed
US-20150250793-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 US disclosed
US-9040567-B2 BAX agonist, compositions, and methods related thereto EMORY UNIVERSITY (US) 2015-05-26 US disclosed
US-9040567-B2 BAX agonist, compositions, and methods related thereto EMORY UNIVERSITY (US) 2015-05-26 US disclosed
US-20140178374-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-26 US disclosed
US-20140178374-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-26 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A KDM4E 192/4885LMNA 692/4885TDP1 1548/4885
US-20140178374-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO BAX, BID, BAD KDM4E 3838/4885LMNA 209/4885TDP1 990/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 KDM4E 861/4885LMNA 624/4885TDP1 2846/4885
US-20150250793-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO BAX, ANXA1, BAD KDM4E 2219/4885LMNA 2505/4885TDP1 1441/4885

“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.