SCHEMBL3333239

SCHEMBL3333239

COc1ccc(C(=O)Nc2cccc(-c3ccc(Cl)nn3)c2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.63
KDM4E B2RXH2 2/20 0.63
POLB P06746 4/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 3/20 0.58
TP53 P04637 2/20 0.58
LMNA P02545 3/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
SIRT1 Q96EB6 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PKM P14618 1/20 0.52
NQO2 P16083 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
PDE4D Q08499 1/20 0.50

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
SCHEMBL3330856 0.89 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL12344016 0.88 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL14134365 0.86 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL14134378 0.83 NPC1 (0.64) NPC1RAB9AKDM4EPOLBALDH1A1
SCHEMBL3331901 0.78 SMN1; SMN2 (0.73) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL2739995 0.77 MAPT (0.65) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL3331415 0.77 MAPT (0.60) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL10389628 0.77 BRAF (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12343770 0.77 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL2740000 0.77 KMT2A (0.77) NPC1RAB9ASMN1; SMN2KDM4EPOLB

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-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF M.D. ANDERSON CANCER CENTER (US) 2012-11-29 US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 US disclosed
EP-2471529-A2 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof Emory University (US) 2012-07-04 EP disclosed
EP-2364702-A2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof Emory University (US) 2011-09-14 EP disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
WO-2008079460-A2 TYROSINE KINASE INHIBITORS FOR PREVENTION OR TREATMENT OF INFECTION EMORY UNIVERSITY (US) 2008-07-03 WO disclosed
WO-2008030744-A2 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-03-13 WO disclosed
WO-2008030744-A2 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-03-13 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-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof MAP3K1, MAP3K2, MAP3K6 NPC1 2073/4885RAB9A 1795/4885SMN1; SMN2 4310/4885
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF MET, HGF, HGFAC NPC1 837/4885RAB9A 3329/4885SMN1; SMN2 4353/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 NPC1 2073/4885RAB9A 1795/4885SMN1; SMN2 4310/4885

“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.