SCHEMBL795857

SCHEMBL795857

CNC(=O)Oc1cccc2cccnc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.68
L3MBTL1 Q9Y468 6/20 0.60
LMNA P02545 5/20 0.60
METAP2 P50579 1/20 0.60
METAP1 P53582 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
ALDH1A1 P00352 4/20 0.58
GAA P10253 2/20 0.58
PGR P06401 1/20 0.58
PTGS1 P23219 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
KDM4E B2RXH2 6/20 0.57
POLB P06746 3/20 0.57
USP2 O75604 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53

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
SCHEMBL28131091 0.84 HSP90AA1 (0.68) HSP90AA1L3MBTL1LMNAMETAP2METAP1
SCHEMBL6525865 0.84 HSP90AA1 (0.63) HSP90AA1L3MBTL1LMNAMETAP2METAP1
SCHEMBL10751843 0.84 HSP90AA1 (0.63) HSP90AA1L3MBTL1LMNAMETAP2METAP1
SCHEMBL7364217 0.83 L3MBTL1 (0.62) HSP90AA1L3MBTL1LMNAMETAP2METAP1
SCHEMBL250301 0.82 LMNA (0.65) HSP90AA1L3MBTL1LMNAMETAP2METAP1
SCHEMBL28459061 0.82 LMNA (0.69) HSP90AA1L3MBTL1LMNAMETAP2METAP1
SCHEMBL10753491 0.81 HSP90AA1 (0.60) HSP90AA1L3MBTL1LMNAMETAP2METAP1
SCHEMBL10385035 0.81 LMNA (0.72) HSP90AA1L3MBTL1LMNAMETAP2METAP1
Hydrochloric Acid SCHEMBL2563239 0.81 LMNA (0.63) HSP90AA1L3MBTL1LMNAMETAP2METAP1
Butanedione SCHEMBL5530736 0.81 LMNA (0.63) HSP90AA1L3MBTL1LMNAMETAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO claimed
US-5124455-A Enzyme inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-23 US claimed
EP-0255984-B1 PROCESS FOR PREPARING 2-METHYL 2-(METHYLTHIO) PROPIONALDEHYDE 0-(METHYLCARBAMOYL) OXIME AS A WATER-WET CAKE RHONE POULENC NEDERLAND B.V. (NL) 1991-10-16 EP claimed
US-4710508-A ANALGESICS WARNER-LAMBERT COMPANY (US) 1987-12-01 US claimed
US-4060627-A Substituted tetrahydroiminobenzo(b)thien-4-ylureas as novel growth promoting compounds for animals AMERICAN CYANAMID COMPANY (US) 1977-11-29 US claimed
US-20140162906-A1 Pesticide Biomarker NAGY JON OWEN (US) 2014-06-12 US disclosed
US-20130089530-A1 METHODS AND COMPOSITIONS FOR TREATING PARASITIC WORM INFECTIONS IN A MAMMAL MICROBES, INC. (US) 2013-04-11 US disclosed
WO-2012037352-A2 METHODS AND COMPOSITIONS FOR REDUCING PATHOGENS IN SOIL AND IMPROVING PLANT GROWTH MICROBES, INC. (US) 2012-03-22 WO disclosed
US-20110166043-A1 BIOMARKER DETECTION-2 ATERIS TECHNOLOGIES, LLC 2011-07-07 US disclosed
US-20100041077-A1 PESTICIDE BIOMARKER ATERIS TECHNOLOGIES, LLC 2010-02-18 US disclosed
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO disclosed
EP-1035770-A4 USE OF FATTY ALCOHOL CARBONATES AS SOLVENTS IN AGRICULTURAL FORMULATIONS COGNIS CORP (US) 2002-07-24 EP disclosed
EP-0255984-A1 Process for preparing 2-methyl 2-(methylthio) propionaldehyde 0-(methylcarbamoyl) oxime as a water-wet cake RHONE POULENC NEDERLAND B.V. (NL) 1988-02-17 EP disclosed
US-4710508-A ANALGESICS WARNER-LAMBERT COMPANY (US) 1987-12-01 US disclosed
US-4640927-A PESTICIDES, NEMATOCIDES, MITICIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1987-02-03 US disclosed
EP-0158496-A2 Substituted oxime carbamates UNIROYAL, INC. (US) 1985-10-16 EP disclosed
EP-0155862-A1 Process for the preparation of carbamic acid esters derivatives SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1985-09-25 EP disclosed
US-4208409-A N-[(phosphinyl or phosphinothioyl)amino]thio-methylcarbamates and pesticidal methods THE UPJOHN COMPANY (US) 1980-06-17 US disclosed
US-4201733-A PESTICIDES THE UPJOHN COMPANY (US) 1980-05-06 US disclosed
US-4108991-A INSECTICIDES, MITICIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1978-08-22 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 (1 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-20110166043-A1 BIOMARKER DETECTION-2 CPB2, NAALAD2, PRSS2 HSP90AA1 3904/4885L3MBTL1 1532/4885LMNA 4505/4885

“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.