SCHEMBL3420814

SCHEMBL3420814

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.45
DRD2 P14416 3/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPKAPK2 P49137 2/20 0.42
SIRT1 Q96EB6 1/20 0.40
HPGD P15428 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PLK4 O00444 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL124755 0.87 KDM4E (0.48) MAPTKDM4EALDH1A1LMNAMAPKAPK2
SCHEMBL22048826 0.85 MAPT (0.46) MAPTKDM4EALDH1A1LMNAMAPKAPK2
SCHEMBL889790 0.83 PLK4 (0.41) MAPTKDM4EALDH1A1LMNAMAPKAPK2
SCHEMBL22062297 0.82 PLK4 (0.46) HTR1ADRD2MAPTKDM4EALDH1A1
SCHEMBL533320 0.82 KDM4E (0.46) MAPTKDM4EALDH1A1LMNAMAPKAPK2
SCHEMBL8205463 0.79 MAPK1 (0.60) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL532721 0.73 NPC1 (0.38) MAPTKDM4EALDH1A1LMNAMAPKAPK2
SCHEMBL5384431 0.73 NPC1 (0.38) MAPTKDM4EALDH1A1LMNAMAPKAPK2
SCHEMBL13497870 0.73 ALDH1A1 (0.48) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL22048825 0.72 RAB9A (0.38) MAPTKDM4EALDH1A1LMNAMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7759126-B2 Real-time linear detection probes: sensitive 5′-minor groove binder-containing probes for amplification (or PCR) analysis ELITECH HOLDING B.V. (NL) 2010-07-20 US disclosed
US-20090111100-A1 MINOR GROOVE BINDER - ENERGY TRANSFER OLIGONUCLEOTIDES AND METHODS FOR THEIR USE ELITECH HOLDING B.V. (NL) 2009-04-30 US disclosed
US-20090048439-A1 Isolation of nucleic acids molecules using modified solid supports ELITECH HOLDING B.V. (NL) 2009-02-19 US disclosed
US-20080293586-A1 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND EPOCH BIOSCIENCES, INC. (US) 2008-11-27 US disclosed
US-7381818-B2 Fluorescent probes containing 5′-minor groove binder, fluorophore and quenching moieties and methods of use thereof EPOCH BIOSCIENCES, INC. (US) 2008-06-03 US disclosed
US-20050214797-A1 Fluorescent probes for DNA detection by hybridization with improved sensitivity and low background EPOCH BIOSCIENCES, INC (US) 2005-09-29 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 (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-20090048439-A1 Isolation of nucleic acids molecules using modified solid supports POLRMT, SSU72, MRPS27 HTR1A 3988/4885DRD2 4119/4885MAPT 3438/4885
US-20080293586-A1 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND SSBP1, DDB1, DNA2 HTR1A 3846/4885DRD2 4333/4885MAPT 3770/4885
US-20090111100-A1 MINOR GROOVE BINDER - ENERGY TRANSFER OLIGONUCLEOTIDES AND METHODS FOR THEIR USE SSBP1, SNRPE, TARBP1 HTR1A 4559/4885DRD2 4479/4885MAPT 3011/4885
US-20050214797-A1 Fluorescent probes for DNA detection by hybridization with improved sensitivity and low background SSBP1, DDB1, DNA2 HTR1A 3846/4885DRD2 4333/4885MAPT 3770/4885

“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.