SCHEMBL112596

SCHEMBL112596

CCN1C(=O)C(=C2C=CN(CC)c3ccccc32)C(=O)N(CC)C1=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
MAPT P10636 7/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
MAPK1 P28482 4/20 0.51
KDM4E B2RXH2 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
THRB P10828 1/20 0.48
KDM4C Q9H3R0 1/20 0.44
RXFP1 Q9HBX9 2/20 0.39
TNFRSF1A P19438 5/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL11670380 0.79 MEN1 (0.62) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL9286130 0.78 ALDH1A1 (0.67) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL11282576 0.74 MEN1 (0.49) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL25034517 0.73 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL10404785 0.68 MEN1 (1.00) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL14596645 0.67 MAPT (0.65) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL10036007 0.66 MEN1 (0.88) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL10777406 0.66 MEN1 (0.88) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL14443291 0.66 MEN1 (0.65) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL10086948 0.66 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906354-B2 Loaded latex optical molecular imaging probes containing lipophilic large stokes shift dyes BRUKER BIOSPIN CORPORATION (US) 2014-12-09 US disclosed
US-8906354-B2 Loaded latex optical molecular imaging probes containing lipophilic large stokes shift dyes BRUKER BIOSPIN CORPORATION (US) 2014-12-09 US disclosed
US-20120058050-A1 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES CONTAINING LIPOPHILIC LARGE STOKES SHIFT DYES BRUKER BIOSPIN CORPORATION 2012-03-08 US disclosed
US-20120058050-A1 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES CONTAINING LIPOPHILIC LARGE STOKES SHIFT DYES BRUKER BIOSPIN CORPORATION 2012-03-08 US disclosed
US-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex QUANTUM MEDICAL HOLDINGS, LLC 2010-02-11 US disclosed
US-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex QUANTUM MEDICAL HOLDINGS, LLC 2010-02-11 US disclosed
WO-2010016858-A2 MOLECULAR IMAGING PROBES CARESTREAM HEALTH, INC. (US) 2010-02-11 WO disclosed
US-20080181965-A1 Loaded latex optical molecular imaging probes QUANTUM MEDICAL HOLDINGS, LLC 2008-07-31 US disclosed
US-20080181965-A1 Loaded latex optical molecular imaging probes QUANTUM MEDICAL HOLDINGS, LLC 2008-07-31 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 (3 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-20080181965-A1 Loaded latex optical molecular imaging probes MLX, LOXL1, EPX ALDH1A1 2212/4885MAPT 2883/4885KMT2A 2878/4885
US-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex CLTA, COPE, CD68 ALDH1A1 2203/4885MAPT 722/4885KMT2A 2753/4885
US-20120058050-A1 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES CONTAINING LIPOPHILIC LARGE STOKES SHIFT DYES LASP1, LSS, SELL ALDH1A1 1094/4885MAPT 1897/4885KMT2A 3321/4885

“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.