SCHEMBL533320

SCHEMBL533320

COC(=O)c1cc2c3c(ccc2[nH]1)NCC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MAPKAPK2 P49137 4/20 0.46
PLK4 O00444 1/20 0.46
DAPK3 O43293 1/20 0.46
DYRK3 O43781 1/20 0.46
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PIM1 P11309 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK1 P28482 1/20 0.46
KDR P35968 1/20 0.46
MAPK8 P45983 1/20 0.46
CLK2 P49760 1/20 0.46

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
SCHEMBL5388939 0.86 RAB9A (0.41) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL8205463 0.86 MAPK1 (0.60) KDM4EALDH1A1MAPTHPGDPLK4
SCHEMBL22048826 0.85 MAPT (0.46) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL124755 0.83 KDM4E (0.48) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL3420814 0.82 HTR1A (0.45) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL22062297 0.81 PLK4 (0.46) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL889790 0.80 PLK4 (0.41) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL888365 0.78 CYP1A2 (0.41) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL25507489 0.78 XDH (0.44) MAPTMAPK1LMNACYP1A2XDH
SCHEMBL19332290 0.77 MAPT (0.45) KDM4EALDH1A1MAPTMAPKAPK2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121667-B1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF SQUIBB & SONS LLC (US) 2016-06-08 EP disclosed
EP-2121667-B1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF SQUIBB & SONS LLC (US) 2016-06-08 EP disclosed
EP-1687609-B1 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND EPOCH BIOSCIENCES INC (US) 2014-12-10 EP disclosed
US-8664407-B2 Chemical linkers with single amino acids and conjugates thereof Medarex, LLC (US) 2014-03-04 US disclosed
US-8664407-B2 Chemical linkers with single amino acids and conjugates thereof Medarex, LLC (US) 2014-03-04 US disclosed
US-8664407-B2 Chemical linkers with single amino acids and conjugates thereof Medarex, LLC (US) 2014-03-04 US disclosed
US-8465921-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2013-06-18 US disclosed
US-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 US disclosed
US-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 US disclosed
US-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 US disclosed
US-20030096254-A1 Enhancing resonance ability of oligonuclotide probes for use in hybridization assays; gene expression EPOCH BIOSCIENCES, INC. (US) 2003-05-22 US disclosed
US-20030008304-A1 Fluorescent quenching detection reagents and methods EPOCH BIOSCIENCES, INC. (US) 2003-01-09 US disclosed
WO-2002099141-A1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES, INC. (US) 2002-12-12 WO disclosed
US-6472153-B1 COVALENTLY BOUND OLIGONUCLEOTIDE/MINOR GROOVE BINDER/LATENT FLUOROPHORE COMBINATION EPOCH BIOSCIENCES, INC. 2002-10-29 US disclosed
US-20020155484-A1 Fluorescent quenching detection reagents and methods EPOCH PHARMACEUTICALS, INC. (US) 2002-10-24 US disclosed
EP-1235938-A2 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS Epoch Biosciences, Inc. (US) 2002-09-04 EP disclosed
EP-1224332-A1 HYBRIDIZATION-TRIGGERED FLUORESCENT DETECTION OF NUCLEIC ACIDS Epoch Biosciences, Inc. (US) 2002-07-24 EP disclosed
US-20020034754-A1 Fluorescent quenching detection reagents and methods ELITECHGROUP, INC. 2002-03-21 US disclosed
WO-2001042505-A2 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES, INC. (US) 2001-06-14 WO disclosed
WO-2001031063-A1 HYBRIDIZATION-TRIGGERED FLUORESCENT DETECTION OF NUCLEIC ACIDS EPOCH BIOSCIENCES, INC. (US) 2001-05-03 WO 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 (4 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-20030008304-A1 Fluorescent quenching detection reagents and methods DDX5, DDX21, DCLRE1B KDM4E 4634/4885ALDH1A1 2350/4885MAPT 4772/4885
US-20020034754-A1 Fluorescent quenching detection reagents and methods DDX5, DDX21, DCLRE1B KDM4E 4634/4885ALDH1A1 2350/4885MAPT 4772/4885
US-20020155484-A1 Fluorescent quenching detection reagents and methods IPO4, PTBP3, DDX5 KDM4E 3864/4885ALDH1A1 3183/4885MAPT 4738/4885
US-20030096254-A1 Enhancing resonance ability of oligonuclotide probes for use in hybridization assays; gene expression DCLRE1B, SNRPE, ZFR KDM4E 4757/4885ALDH1A1 2641/4885MAPT 4863/4885

“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.