SCHEMBL9917438

SCHEMBL9917438

Cc1cc2c(cnn2Cc2ccc(Cl)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
BRD4 O60885 2/20 0.43
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PKLR P30613 1/20 0.39
GLS O94925 1/20 0.38
HTT P42858 2/20 0.38
KCNH2 Q12809 1/20 0.38
KMO O15229 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
MAPT P10636 2/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL16418006 0.91 BRD4 (0.43) ALDH1A1BRD4LMNAMEN1KMT2A
SCHEMBL9917437 0.88 BRD4 (0.42) GAAALDH1A1BRD4LMNAPKM
SCHEMBL9917344 0.83 KCNH2 (0.49) GAAALDH1A1BRD4PKMTDP1
SCHEMBL9917346 0.80 HTR2A (0.44) GAAALDH1A1BRD4PKMTDP1
SCHEMBL9917433 0.78 KCNH2 (0.42) GAAALDH1A1BRD4PKMTDP1
SCHEMBL9917428 0.78 HDAC3 (0.42) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL9917348 0.76 NPBWR1 (0.43) ALDH1A1BRD4LMNAMEN1KMT2A
SCHEMBL23531730 0.76 MEN1 (0.41) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL29824758 0.76 MEN1 (0.41) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL9917426 0.76 POLB (0.41) GAAALDH1A1BRD4MEN1KMT2A

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-9149463-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2015-10-06 US disclosed
US-9149463-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2015-10-06 US disclosed
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-06-04 US disclosed
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-06-04 US disclosed
US-8940730-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-27 US disclosed
US-8940730-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-27 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
WO-2010107742-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 WO disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 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 (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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 GAA 1100/4885ALDH1A1 2855/4885BRD4 475/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 GAA 1100/4885ALDH1A1 2855/4885BRD4 475/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 GAA 1100/4885ALDH1A1 2855/4885BRD4 475/4885

“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.