SCHEMBL16048824

SCHEMBL16048824

NNC(=O)c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 18/20 0.67
HDAC3 O15379 1/20 0.60

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
SCHEMBL19691220 0.84 SMYD3 (0.61) SMYD3HDAC3
SCHEMBL3195105 0.84 CRBN (0.68) SMYD3HDAC3
SCHEMBL4394998 0.83 SMYD3 (0.52) SMYD3HDAC3
SCHEMBL3190474 0.82 SMYD3 (0.57) SMYD3HDAC3
SCHEMBL29567045 0.82 SMYD3 (0.57) SMYD3HDAC3
Hydrochloric Acid SCHEMBL4399720 0.82 SMYD3 (0.51) SMYD3HDAC3
SCHEMBL3193145 0.81 SMYD3 (0.71) SMYD3HDAC3
SCHEMBL19701263 0.81 SMYD3 (1.00) SMYD3HDAC3
Hydrochloric Acid SCHEMBL28849276 0.81 SMYD3 (0.56) SMYD3HDAC3
SCHEMBL7089091 0.81 SMYD3 (0.60) SMYD3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241569-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL INC (US) 2019-08-08 US disclosed
US-20190241550-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE BOSTON BIOMEDICAL INC (US) 2019-08-08 US disclosed
US-20160075697-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2016-03-17 US disclosed
US-20160075697-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2016-03-17 US disclosed
US-20160031888-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL, INC. (US) 2016-02-04 US disclosed
US-20160031888-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL, INC. (US) 2016-02-04 US disclosed
US-20160031888-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL, INC. (US) 2016-02-04 US disclosed
EP-2970206-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER Boston Biomedical, Inc. (US) 2016-01-20 EP disclosed
US-9227962-B2 Heterocyclic substituted-3-heteroarylidenyl-2-indolinone derivative BOSTON BIOMEDICAL, INC. (US) 2016-01-05 US disclosed
US-9227962-B2 Heterocyclic substituted-3-heteroarylidenyl-2-indolinone derivative BOSTON BIOMEDICAL, INC. (US) 2016-01-05 US disclosed
US-9227962-B2 Heterocyclic substituted-3-heteroarylidenyl-2-indolinone derivative BOSTON BIOMEDICAL, INC. (US) 2016-01-05 US disclosed
WO-2014160401-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL, INC. (US) 2014-10-02 WO disclosed
WO-2014160401-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL, INC. (US) 2014-10-02 WO disclosed
US-20140275076-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE BOSTON BIOMEDICAL, INC. 2014-09-18 US disclosed
US-20140275076-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE BOSTON BIOMEDICAL, INC. 2014-09-18 US disclosed
US-20140275076-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE BOSTON BIOMEDICAL, INC. 2014-09-18 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 (5 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-20160075697-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE CYP2C9, DHRS9, HTR3B SMYD3 822/4885HDAC3 51/4885
US-20140275076-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE CYP2C9, DHRS9, HTR3B SMYD3 822/4885HDAC3 51/4885
US-20190241569-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER MAP3K2, MAP3K1, MAP3K3 SMYD3 2518/4885HDAC3 550/4885
US-20190241550-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE CYP2C9, DHRS9, HTR3B SMYD3 822/4885HDAC3 51/4885
US-20160031888-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER MAP3K19, MAP3K2, MAP3K3 SMYD3 3034/4885HDAC3 562/4885

“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.