SCHEMBL61934

SCHEMBL61934

CNCN1C(=O)C=CC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
BLM P54132 2/20 0.52
GMNN O75496 1/20 0.52
THPO P40225 1/20 0.52
PMP22 Q01453 1/20 0.52
FAAH O00519 4/20 0.46
HPGD P15428 2/20 0.44
HSP90AA1 P07900 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL12599169 0.75 MGLL (0.54) MGLLALDH1A1LMNAMAPTNPSR1
N-Ethylmaleimide SCHEMBL9487550 0.74 MGLL (0.84) MGLLALDH1A1LMNAMAPTNPSR1
Hydrochloric Acid SCHEMBL28493448 0.73 MGLL (0.52) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL19901567 0.72 MGLL (0.36) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL19242844 0.72 MGLL (0.50) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL6754720 0.72 NPSR1 (0.45) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL14944992 0.72 MGLL (0.62) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL5826263 0.71
Dimethylamine SCHEMBL181615 0.70 MGLL (0.59) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL23181692 0.69 MGLL (0.68) MGLLALDH1A1LMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9561290-B2 Functionalized thieno-indole derivatives for the treatment of cancer NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-02-07 US disclosed
US-9492553-B2 Nemorubicin metabolite and analog reagents, antibody-drug conjugates and methods GENENTECH, INC. (US) 2016-11-15 US disclosed
US-9242010-B2 Living copolymer-protein/peptide hybrids for biomedical applications RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2016-01-26 US disclosed
US-20150080316-A1 FUNCTIONALIZED THIENO-INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-19 US disclosed
US-8962342-B2 Near-infrared dyes as surface enhanced raman scattering reporters BECKTON, DICKINSON AND COMPANY (US) 2015-02-24 US disclosed
US-20140227299-A1 NEMORUBICIN METABOLITE AND ANALOG REAGENTS, ANTIBODY-DRUG CONJUGATES AND METHODS GENENTECH, INC. (US) 2014-08-14 US disclosed
US-8742076-B2 Nemorubicin metabolite and analog reagents, antibody-drug conjugates and methods GENENTECH, INC. (US) 2014-06-03 US disclosed
US-20130143815-A1 GROWTH HORMONE CONJUGATES NOVO NORDISK HEALTH CARE AG (CH) 2013-06-06 US disclosed
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-20110262991-A1 Living Copolymer-Protein/Peptide Hybrids for Biomedical Applications THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2011-10-27 US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 US disclosed
US-20110076287-A1 NEMORUBICIN METABOLITE AND ANALOG REAGENTS, ANTIBODY-DRUG CONJUGATES AND METHODS GENENTECH, INC. 2011-03-31 US disclosed
US-20110076287-A1 NEMORUBICIN METABOLITE AND ANALOG REAGENTS, ANTIBODY-DRUG CONJUGATES AND METHODS GENENTECH, INC. 2011-03-31 US disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-01-07 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 US disclosed
EP-2036953-A2 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2009-03-18 EP disclosed
US-20080305489-A1 NEAR-INFRARED DYES AS SURFACE ENHANCED RAMAN SCATTERING REPORTERS BECTON, DICKINSON AND COMPANY (US) 2008-12-11 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 (7 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-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MGLL 4854/4885ALDH1A1 1435/4885LMNA 1772/4885
US-20140227299-A1 NEMORUBICIN METABOLITE AND ANALOG REAGENTS, ANTIBODY-DRUG CONJUGATES AND METHODS BCR, CD79B, MYADM MGLL 2895/4885ALDH1A1 435/4885LMNA 237/4885
US-20150080316-A1 FUNCTIONALIZED THIENO-INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER NTSR1, HRH4, HTR4 MGLL 4239/4885ALDH1A1 1402/4885LMNA 2663/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MGLL 4854/4885ALDH1A1 1435/4885LMNA 1772/4885
US-20110076287-A1 NEMORUBICIN METABOLITE AND ANALOG REAGENTS, ANTIBODY-DRUG CONJUGATES AND METHODS BCR, CD79B, MYADM MGLL 2895/4885ALDH1A1 435/4885LMNA 237/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MGLL 4854/4885ALDH1A1 1435/4885LMNA 1772/4885
US-20130143815-A1 GROWTH HORMONE CONJUGATES GHRHR, GHSR, GHITM MGLL 1579/4885ALDH1A1 3638/4885LMNA 4760/4885

“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.