SCHEMBL3737335

SCHEMBL3737335

COC(=O)C=C(C)Nc1ccc(NC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
RAB9A P51151 6/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
KMT2A Q03164 7/20 0.54
ALDH1A1 P00352 4/20 0.54
HTT P42858 3/20 0.54
TSHR P16473 3/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
GFER P55789 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
CA12 O43570 1/20 0.52
BRD4 O60885 1/20 0.52
NR1I2 O75469 1/20 0.52
CA1 P00915 1/20 0.52

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
SCHEMBL13628941 1.00 MAPT (0.60) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3737334 1.00 MAPT (0.60) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11345591 0.94 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11568552 0.86 NPC1 (0.66) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL12264384 0.86 SMN1; SMN2 (0.62) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2547131 0.86 SMN1; SMN2 (0.62) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL20291763 0.85 MAPT (0.58) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL18548859 0.85 MAPT (0.58) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL15164801 0.85 MAPT (0.58) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL10862595 0.83 MAPT (0.58) MAPTRAB9ANPC1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7826982-B2 Method of identifying inhibitors using a 3-D structure of RAC-1 GTPASE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2010-11-02 US disclosed
US-7826982-B2 Method of identifying inhibitors using a 3-D structure of RAC-1 GTPASE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2010-11-02 US disclosed
US-7826982-B2 Method of identifying inhibitors using a 3-D structure of RAC-1 GTPASE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2010-11-02 US disclosed
US-7612080-B2 GTPase inhibitors and use thereof for controlling platelet hyperactivity CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2009-11-03 US disclosed
US-7612080-B2 GTPase inhibitors and use thereof for controlling platelet hyperactivity CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2009-11-03 US disclosed
US-7517890-B2 GTPase inhibitors and methods of use CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2009-04-14 US disclosed
US-7517890-B2 GTPase inhibitors and methods of use CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2009-04-14 US disclosed
US-7517890-B2 GTPase inhibitors and methods of use CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2009-04-14 US disclosed
EP-1920048-A2 GTPASE INHIBITORS AND METHODS OF USE AND CRYSTAL STRUCTURE OF RAC-1 GTPASE Children's Hospital Medical Center (US) 2008-05-14 EP disclosed
EP-1814553-A2 GTPASE INHIBITORS AND USE THEREOF FOR CONTROLLING PLATELET HYPERACTIVITY Children's Hospital Medical Center (US) 2007-08-08 EP disclosed
US-20070155766-A1 GTPase inhibitors and methods of use and crystal structure of RAC-1 GTPase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-05 US disclosed
US-20070155766-A1 GTPase inhibitors and methods of use and crystal structure of RAC-1 GTPase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-05 US disclosed
WO-2007016539-A2 GTPASE INHIBITORS AND METHODS OF USE AND CRYSTAL STRUCTURE OF RAC-1 GTPASE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2007-02-08 WO disclosed
WO-2007016539-A2 GTPASE INHIBITORS AND METHODS OF USE AND CRYSTAL STRUCTURE OF RAC-1 GTPASE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2007-02-08 WO disclosed
EP-1691812-A1 GTPASE INHIBITORS AND METHODS OF USE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2006-08-23 EP disclosed
US-20060135542-A1 GTPase inhibitors and use thereof for controlling platelet hyperactivity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-22 US disclosed
WO-2006055833-A2 GTPASE INHIBITORS AND USE THEREOF FOR CONTROLLING PLATELET HYPERACTIVITY CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2006-05-26 WO disclosed
US-20060004032-A1 GTPase inhibitors and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-01-05 US disclosed
WO-2005051392-A1 GTPASE INHIBITORS AND METHODS OF USE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2005-06-09 WO disclosed
WO-2005051392-A1 GTPASE INHIBITORS AND METHODS OF USE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2005-06-09 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 (3 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-20060135542-A1 GTPase inhibitors and use thereof for controlling platelet hyperactivity ARHGDIB, ARHGEF2, RAC1 MAPT 3929/4885RAB9A 101/4885NPC1 4294/4885
US-20060004032-A1 GTPase inhibitors and methods of use RAC1, RAC2, ARHGDIB MAPT 2697/4885RAB9A 79/4885NPC1 4018/4885
US-20070155766-A1 GTPase inhibitors and methods of use and crystal structure of RAC-1 GTPase RAC1, RAC2, RAC3 MAPT 2389/4885RAB9A 74/4885NPC1 3641/4885

“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.