SCHEMBL2625725

SCHEMBL2625725

CN(C)/C=C/c1cccc(Br)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
GAA P10253 3/20 0.39
RAB9A P51151 2/20 0.39
MMP14 P50281 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.37
HSP90AA1 P07900 1/20 0.37
ATM Q13315 1/20 0.37
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.34
PMM2 O15305 1/20 0.34
MPI P34949 1/20 0.34
ERN1 O75460 1/20 0.32
PRMT1 Q99873 1/20 0.31
RXRA P19793 1/20 0.31

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
SCHEMBL3941257 1.00 MAPT (0.39) MAPTGAARAB9AMMP14POLB
SCHEMBL11836212 0.83 ALDH1A1 (0.56) MAPTGAARAB9AMMP14POLB
SCHEMBL11836225 0.83 ALDH1A1 (0.56) MAPTGAARAB9AMMP14POLB
SCHEMBL27985273 0.83 MAPT (0.41) MAPTGAARAB9AMMP14POLB
SCHEMBL7298528 0.83 TSHR (0.50) MAPTGAARAB9AMMP14POLB
SCHEMBL11006035 0.83 TSHR (0.50) MAPTGAARAB9AMMP14POLB
SCHEMBL13602996 0.81 MAPT (0.46) MAPTGAARAB9AMMP14POLB
SCHEMBL14609881 0.81 MAPT (0.39) MAPTGAARAB9AMMP14POLB
SCHEMBL7408707 0.80 PRMT1 (0.49) MAPTGAARAB9AMMP14POLB
SCHEMBL7408714 0.80 PRMT1 (0.49) MAPTGAARAB9AMMP14POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835482-B2 Substituted indazole and aza-indazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-09-16 US disclosed
US-8835482-B2 Substituted indazole and aza-indazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-09-16 US disclosed
EP-2427453-B1 SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2013-07-17 EP disclosed
US-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-04-19 US disclosed
US-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-04-19 US disclosed
WO-2010145883-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-12-23 WO disclosed
CN-101490058-A Antiviral agents GENELABS TECH INC (US) 2009-07-22 CN disclosed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN disclosed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 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 (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-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A MAPT 3521/4885GAA 364/4885RAB9A 2431/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 MAPT 2534/4885GAA 774/4885RAB9A 1939/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 MAPT 4372/4885GAA 66/4885RAB9A 1055/4885

“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.