SCHEMBL4438607

SCHEMBL4438607

Clc1ccc(COc2cccc3cccnc23)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.66
MAPT P10636 6/20 0.66
RAB9A P51151 5/20 0.66
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 4/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
GAA P10253 2/20 0.54
POLB P06746 2/20 0.54
HDAC6 Q9UBN7 1/20 0.54
LMNA P02545 5/20 0.50
HPGD P15428 3/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6026796 0.88 NPC1 (0.68) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL6027602 0.88 NPC1 (0.68) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL6021785 0.84 NPC1 (0.62) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL6027050 0.84 NPC1 (0.75) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL1138274 0.82 NPC1 (0.68) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL6026902 0.82 NPC1 (0.64) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL6027467 0.80 NPC1 (0.74) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL9116755 0.79 NPC1 (1.00) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL24430062 0.79 NPC1 (0.77) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL6021122 0.79 NPC1 (1.00) NPC1MAPTRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075483-B1 HYGROMYCIN A DERIVATIVES PFIZER PROD INC (US) 2003-12-03 EP claimed
EP-1077984-B1 2\"-DEOXY HYGROMYCIN DERIVATIVES PFIZER PROD INC (US) 2003-06-18 EP claimed
US-6342497-B1 2″-deoxy hygromycin derivatives PFIZER INC 2002-01-29 US claimed
US-6313100-B1 ANTIBACTERIAL, ANTIPROTOZOA AGENTS PFIZER INC 2001-11-06 US claimed
US-9102701-B2 17-hydroxy-17-pentafluoroethyl-estra-4,9(10)-diene-11-ethynylphenyl derivatives, methods for the production thereof and use thereof for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-11 US disclosed
US-20120190660-A1 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIENE-11-ETHYNYLPHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 US disclosed
US-8217161-B2 Methods of inhibiting multiple cytochrome P450 genes with siRNA CLEMSON UNIVERSITY RESEARCH FOUNDATION (US) 2012-07-10 US disclosed
US-20090265795-A1 Methods of Inhibiting Multiple Cytochrome P450 Genes with siRNA CLEMSON UNIVERSITY RESEARCH FOUNDATION 2009-10-22 US disclosed
EP-1369490-B1 Method of preparing a composition containing hygromycin A and epi-hygromycin PFIZER PROD INC (US) 2006-02-08 EP disclosed
EP-1369490-A1 Method of preparing a composition containing hygromycin A and epi-hygromycin Pfizer Products Inc. (US) 2003-12-10 EP disclosed
EP-1075483-B1 HYGROMYCIN A DERIVATIVES PFIZER PROD INC (US) 2003-12-03 EP disclosed
EP-1077984-B1 2\"-DEOXY HYGROMYCIN DERIVATIVES PFIZER PROD INC (US) 2003-06-18 EP disclosed
US-6342497-B1 2″-deoxy hygromycin derivatives PFIZER INC 2002-01-29 US disclosed
US-6313100-B1 ANTIBACTERIAL, ANTIPROTOZOA AGENTS PFIZER INC 2001-11-06 US disclosed
EP-1077984-A1 2\"-DEOXY HYGROMYCIN DERIVATIVES Pfizer Products Inc. (US) 2001-02-28 EP disclosed
WO-1999057127-A1 2'-DEOXY HYGROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-11-11 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 (1 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-20120190660-A1 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIENE-11-ETHYNYLPHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES HSD17B11, CYP17A1, CYP19A1 NPC1 1745/4885MAPT 2861/4885RAB9A 2382/4885

“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.