SCHEMBL716372

SCHEMBL716372

Nc1ccc2c3c(cccc13)C(=O)C=C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.50
MEN1 O00255 9/20 0.50
USP2 O75604 8/20 0.50
MAPT P10636 7/20 0.50
THRB P10828 3/20 0.50
POLB P06746 3/20 0.50
RECQL P46063 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CYP3A4 P08684 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
RGS12 O14924 2/20 0.50
CYP1A2 P05177 1/20 0.50
PARP1 P09874 1/20 0.50
CYP2C9 P11712 1/20 0.50
APEX1 P27695 1/20 0.50
CASP1 P29466 1/20 0.50
BRCA1 P38398 1/20 0.50
MTOR P42345 1/20 0.50
BLM P54132 1/20 0.50
CASP7 P55210 1/20 0.50

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
SCHEMBL28938488 0.79 CYP1B1 (0.44) KMT2AMEN1MAPTTHRBPOLB
6-Hydroxy-1H-Phenalen-1-One SCHEMBL6229904 0.79 MEN1 (0.47) KMT2AMEN1USP2MAPTTHRB
SCHEMBL4978813 0.78 KEAP1 (0.50) KMT2AMEN1USP2MAPTTHRB
SCHEMBL28962252 0.76 IDO1 (0.42) KMT2AMEN1USP2MAPTTHRB
6-Methoxy-1H-Phenalen-1-One SCHEMBL8372712 0.75 PRMT1 (0.53) KMT2AMEN1USP2MAPTPOLB
SCHEMBL27576058 0.73 MAPT (0.41) KMT2AMEN1USP2MAPTTHRB
SCHEMBL26977395 0.71 GUSB (0.39) KMT2AMEN1USP2MAPTTHRB
SCHEMBL236503 0.71 CDC25B (0.46) KMT2AMEN1USP2MAPTTHRB
SCHEMBL30051046 0.71 CDC25B (0.46) KMT2AMEN1USP2MAPTTHRB
SCHEMBL1310003 0.71 CDC25B (0.46) KMT2AMEN1USP2MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS Cercacor Laboratories, Inc (US) 2014-05-08 US disclosed
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS Cercacor Laboratories, Inc (US) 2014-05-08 US disclosed
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS Cercacor Laboratories, Inc (US) 2014-05-08 US disclosed
US-8466286-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. (US) 2013-06-18 US disclosed
US-8466286-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. (US) 2013-06-18 US disclosed
US-8466286-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. (US) 2013-06-18 US disclosed
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS MASIMO LABORATORIES, INC. (US) 2012-03-01 US disclosed
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS MASIMO LABORATORIES, INC. (US) 2012-03-01 US disclosed
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS MASIMO LABORATORIES, INC. (US) 2012-03-01 US disclosed
US-8029765-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-10-04 US disclosed
US-5576424-A ANALYZING METABOLIC ACTIVITY OF ENZYMES MOLECULAR PROBES, INC. (US) 1996-11-19 US disclosed
US-5362628-A Analyzing MOLECULAR PROBES, INC. (US) 1994-11-08 US disclosed
EP-0603266-A1 USE OF HALOALKYL DERIVATIVES OF REPORTER MOLECULES TO ANALYZE METABOLIC ACTIVITY IN CELLS MOLECULAR PROBES, INC. (US) 1994-06-29 EP disclosed
WO-1993004192-A1 USE OF HALOALKYL DERIVATIVES OF REPORTER MOLECULES TO ANALYZE METABOLIC ACTIVITY IN CELLS MOLECULAR PROBES, INC. (US) 1993-03-04 WO disclosed
US-5154887-A Useful in rapid and highly sensitive immunoassays EASTMAN KODAK COMPANY (US) 1992-10-13 US disclosed
EP-0231125-B1 HYDROLYZABLE FLUORESCENT SUBSTRATES AND ANALYTICAL DETERMINATIONS USING SAME EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-08-19 EP disclosed
US-5055414-A PHENALENIMINE FLUORESCENT DYES AND THEIR USE IN ANALYTICAL METHODS EASTMAN KODAK COMPANY (US) 1991-10-08 US disclosed
EP-0353868-A2 Phenalenimine fluorescent dyes and their use in analytical compositions, elements and methods EASTMAN KODAK COMPANY (US) 1990-02-07 EP disclosed
US-4812409-A FOR HYDROLYTIC ENZYMES EASTMAN KODAK COMPANY (US) 1989-03-14 US disclosed
EP-0231125-A2 Hydrolyzable fluorescent substrates and analytical determinations using same EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1987-08-05 EP 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-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 KMT2A 3286/4885MEN1 606/4885USP2 3927/4885
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 KMT2A 3286/4885MEN1 606/4885USP2 3927/4885

“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.