SCHEMBL5038570

SCHEMBL5038570

COc1cc(Br)c(OC)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
G6PD P11413 1/20 0.54
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
TPMT P51580 1/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9657631 0.88 MAPT (0.56) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL30079502 0.84 GPR35 (0.48) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL3364705 0.84 GPR35 (0.48) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL29686592 0.82 GRIN2D (0.43) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL7045447 0.82 MAPT (0.53) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL2133102 0.82 GRIN2D (0.43) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL15872024 0.81 MAPK1 (0.50) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL416580 0.81 MAPT (0.68) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL6816267 0.81 GRIN2D (0.49) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL9138248 0.80 MAPT (0.57) MAPTMAPK1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9410958-B2 Alkyne-activated fluorogenic azide compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-09 US disclosed
US-20150276752-A1 ALKYNE-ACTIVATED FLUOROGENIC AZIDE COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-01 US disclosed
CN-101505762-A Orally active purinyl inhibitors of heat shock protein 90 CONFORMA THERAPEUTICS CORP (US) 2009-08-12 CN disclosed
EP-1962863-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 Conforma Therapeutics Corporation (US) 2008-09-03 EP disclosed
WO-2007075572-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-05 WO disclosed
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 US disclosed
US-3970460-A Diazotype composition MULTITEC AG (CH) 1976-07-20 US 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 (2 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-20150276752-A1 ALKYNE-ACTIVATED FLUOROGENIC AZIDE COMPOUNDS AND METHODS OF USE THEREOF ALK, DNPEP, ACR MAPT 3582/4885MAPK1 2690/4885MEN1 2227/4885
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 HSP90AB1, HSP90AA1, HSP90AB2P MAPT 123/4885MAPK1 614/4885MEN1 4724/4885

“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.