SCHEMBL3304246

SCHEMBL3304246

COc1cc(F)ccc1CN[C]=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
APLNR P35414 1/20 0.44
HTR2A P28223 4/20 0.43
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
USP2 O75604 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL3305866 0.83 SMN1; SMN2 (0.35) HDAC3HDAC1HDAC2HDAC6HTR2A
SCHEMBL4257416 0.82 APLNR (0.67) APLNRHTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL513763 0.80 ALDH1A1 (0.58) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL20560055 0.78 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6SLC6A4
SCHEMBL5213192 0.78 IDO1 (0.44) SMN1; SMN2KDM4EMAOB
SCHEMBL20896956 0.78 PSEN1 (0.40) HTR2ASLC6A4KCNH2SMN1; SMN2ALDH1A1
SCHEMBL3304251 0.77 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6APLNR
SCHEMBL8342657 0.77 KDM4E (0.47) HDAC3HDAC1HDAC2HDAC6APLNR
SCHEMBL20738728 0.76 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL7673154 0.75 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 EP 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 HDAC3 181/4885HDAC1 375/4885HDAC2 841/4885

“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.