SCHEMBL6433630

SCHEMBL6433630

COC(=O)c1cc(NC(=O)c2nc(NC(=O)c3nc(NC(=O)c4nccn4C)cn3C)cn2C)cn1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
GRM1 Q13255 4/20 0.39
GRM4 Q14833 4/20 0.38
ERBB2 P04626 5/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
NTRK1 P04629 1/20 0.36
P2RY12 Q9H244 1/20 0.36
NR3C1 P04150 1/20 0.35

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
SCHEMBL24630353 0.98 NAMPT (0.43) NAMPTHDAC1HDAC2HDAC8KDM4E
SCHEMBL12934351 0.91 NAMPT (0.52) NAMPTKDM4EPOLBMAPTGRM1
SCHEMBL6576406 0.89 NAMPT (0.46) NAMPTHDAC1HDAC2HDAC8KDM4E
SCHEMBL23728629 0.89 HDAC1 (0.55) NAMPTHDAC1HDAC2HDAC8KDM4E
SCHEMBL23745008 0.89 HDAC1 (0.55) NAMPTHDAC1HDAC2HDAC8KDM4E
SCHEMBL5335787 0.89 NAMPT (0.50) NAMPTKDM4EPOLBMAPTGRM1
SCHEMBL31180744 0.88 HDAC1 (0.53) HDAC1HDAC2HDAC8KDM4EPOLB
SCHEMBL14388685 0.88 NAMPT (0.46) NAMPTHDAC1HDAC2HDAC8KDM4E
SCHEMBL25252633 0.87 NAMPT (0.45) NAMPTHDAC1HDAC2HDAC8KDM4E
SCHEMBL5331221 0.86 NAMPT (0.46) NAMPTKDM4EPOLBMAPTGRM1

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-6924396-B2 α-haloenamine reagents PHARMACIA CORPORATION (US) 2005-08-02 US disclosed
EP-1430028-A2 AROMATIC AND HETEROAROMATIC ACID HALIDES FOR SYNTHESIZING POLYAMIDES Pharmacia Corporation (US) 2004-06-23 EP disclosed
EP-1421056-A1 (ALPHA)-HALOENAMINE REAGENTS Pharmacia Corporation (US) 2004-05-26 EP disclosed
US-20040092770-A1 Alpha-haloenamine reagents PHARMACIA CORPORATION 2004-05-13 US disclosed
US-6677487-B2 COMBINING A TERTIARY AMIDE WITH A PENTAVALENT PHOSPHOROUS HALIDE IN A SOLVENT TO FORM AN ALPHA - HALOIMINIUM SALT AND CONVERTING THE ALPHA -HALOIMINIUM SALT TO THE ALPHA -HALOENAMINE WITH A BASE PHARMACIA CORPORATION 2004-01-13 US disclosed
US-20030105279-A1 Aromatic and heteroaromatic acid halides for synthesizing polyamides PHARMACIA CORPORATION 2003-06-05 US disclosed
US-20030080320-A1 Alpha- haloenamine reagents PHARMACIA CORPORATION 2003-05-01 US disclosed
WO-2003020684-A1 (ALPHA)-HALOENAMINE REAGENTS PHARMACIA CORPORATION (US) 2003-03-13 WO disclosed
WO-2003018552-A2 AROMATIC AND HETEROAROMATIC ACID HALIDES FOR SYNTHESIZING POLYAMIDES PHARMACIA CORPORATION (US) 2003-03-06 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 (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-20030080320-A1 Alpha- haloenamine reagents HNMT, HDHD5, NISCH NAMPT 1822/4885HDAC1 2027/4885HDAC2 1655/4885
US-20040092770-A1 Alpha-haloenamine reagents HNMT, HDHD5, NISCH NAMPT 1822/4885HDAC1 2027/4885HDAC2 1655/4885
US-20030105279-A1 Aromatic and heteroaromatic acid halides for synthesizing polyamides AAAS, HTT, HRH4 NAMPT 3894/4885HDAC1 3548/4885HDAC2 3360/4885

“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.