SCHEMBL2644028

SCHEMBL2644028

CON(C)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AR P10275 4/20 0.42
HRH4 Q9H3N8 1/20 0.42
FLT3 P36888 5/20 0.41
SYK P43405 1/20 0.39
MAPT P10636 1/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 1/20 0.39
PLD2 O14939 1/20 0.38
PLD1 Q13393 1/20 0.38
KIF11 P52732 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
SCHEMBL2642882 0.90 HRH4 (0.53) MLYCDKMT2AARHRH4FLT3
SCHEMBL18298830 0.82 KMT2A (0.51) RXFP1MEN1KMT2AHRH4FLT3
SCHEMBL34471210 0.81 CFTR (0.49) HRH4FLT3MAPTPDGFRBPDGFRA
SCHEMBL926647 0.81 CFTR (0.49) HRH4FLT3MAPTPDGFRBPDGFRA
SCHEMBL6173150 0.80 FLT3 (0.59) RXFP1MEN1KMT2AHRH4FLT3
SCHEMBL22529373 0.80 HRH4 (0.50) RXFP1MEN1KMT2AARHRH4
SCHEMBL20853218 0.80 KMT2A (0.65) RXFP1MEN1KMT2AHRH4FLT3
Hydrochloric Acid SCHEMBL7882352 0.79 PLG (0.41) RXFP1MEN1KMT2AARHRH4
SCHEMBL27904158 0.78 FLT3 (0.53) HRH4FLT3PDGFRBPDGFRA
SCHEMBL3246966 0.77 PDGFRB (0.57) FLT3MAPTPDGFRBPDGFRA

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
US-7598398-B2 Acyl indoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7598398-B2 Acyl indoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-10-06 US disclosed
EP-1951669-A1 ACYL INDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2008-08-06 EP disclosed
WO-2007047177-A1 ACYL INDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2007-04-26 WO disclosed
WO-2007047177-A1 ACYL INDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2007-04-26 WO disclosed
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-04-19 US disclosed
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-04-19 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 (1 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-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use GPR119, IAPP, GLP1R MLYCD 284/4885RXFP1 298/4885MEN1 2801/4885

“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.