SCHEMBL2642882

SCHEMBL2642882

CON(C)C(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.53
AR P10275 1/20 0.52
MAPT P10636 2/20 0.46
SYK P43405 1/20 0.46
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
PLD2 O14939 1/20 0.46
PLD1 Q13393 1/20 0.46
MLYCD O95822 1/20 0.44
FLT3 P36888 4/20 0.43
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
PYGL P06737 1/20 0.41
PYGM P11217 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2644028 0.90 MLYCD (0.44) HRH4ARMAPTSYKPDGFRB
SCHEMBL18580365 0.86 HRH4 (0.57) HRH4ARMAPTSYKPLD2
SCHEMBL22529423 0.83 KDM4E (0.62) MAPTPDGFRBPDGFRAFLT3KDM4E
SCHEMBL2138562 0.82 FLT3 (0.63) HRH4ARMAPTPDGFRBPDGFRA
SCHEMBL2717168 0.81 PDGFRB (0.70) MAPTPDGFRBPDGFRAFLT3KDM4E
SCHEMBL16236301 0.81 HRH4 (0.57) HRH4ARMAPTPDGFRBPDGFRA
SCHEMBL22529383 0.80 FLT3 (0.63) HRH4MAPTPDGFRBPDGFRAFLT3
SCHEMBL717013 0.80 HRH4 (0.64) HRH4PDGFRBPDGFRAFLT3PYGL
SCHEMBL10085548 0.79 HRH4 (0.61) HRH4ARMAPTPDGFRBPDGFRA
SCHEMBL16599412 0.78 HRH4 (0.60) HRH4ARPDGFRBPDGFRAPLD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845742-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-12-19 US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 US disclosed
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
US-7598398-B2 Acyl indoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-10-06 US 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
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 (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-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC47A1, SLC47A2 HRH4 2159/4885AR 4837/4885MAPT 4489/4885
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use GPR119, IAPP, GLP1R HRH4 666/4885AR 301/4885MAPT 4014/4885
US-11845742-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC47A1, SLC47A2 HRH4 2159/4885AR 4837/4885MAPT 4489/4885

“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.