SCHEMBL21238643

SCHEMBL21238643

C/C=C1/C(=O)Nc2ccc(C3CCNCC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.42
QDPR P09417 1/20 0.41
HTR2C P28335 5/20 0.40
BRD4 O60885 1/20 0.38
MAPT P10636 2/20 0.38
HSP90AA1 P07900 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
TGM2 P21980 1/20 0.37
PDPK1 O15530 2/20 0.37
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CDK2 P24941 1/20 0.35
RET P07949 2/20 0.35
PDGFRB P09619 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
SCHEMBL21238708 1.00 MAPKAPK2 (0.42) MAPKAPK2QDPRHTR2CBRD4MAPT
SCHEMBL25826016 0.88 EPHX2 (0.49) BRD4MAPTHSP90AA1SMN1; SMN2IDO1
SCHEMBL21238423 0.79 MAPKAPK2 (0.44) MAPKAPK2QDPRHTR2CMAPTEPHX2
SCHEMBL25825365 0.73 MAPT (0.48) MAPTHSP90AA1SMN1; SMN2IDO1TDO2
SCHEMBL1768001 0.71 TGM2 (0.53) TGM2
SCHEMBL8363166 0.71 MEN1 (0.61) BRD4MAPTIDO1TDO2TGM2
SCHEMBL23817603 0.70 TGM2 (0.61) BRD4MAPTIDO1TDO2TGM2
SCHEMBL14446379 0.70 TGM2 (0.68) IDO1TDO2TGM2RETPDGFRB
SCHEMBL29076767 0.70 TGM2 (0.61) MAPTHSP90AA1SMN1; SMN2TGM2MEN1
SCHEMBL13712811 0.70 MEN1 (0.61) BRD4TGM2MEN1KMT2ACDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241550-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE BOSTON BIOMEDICAL INC (US) 2019-08-08 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-20190241550-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE CYP2C9, DHRS9, HTR3B MAPKAPK2 3232/4885QDPR 205/4885HTR2C 13/4885

“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.