SCHEMBL3305901

SCHEMBL3305901

COc1cccc(Oc2cccc(CN[C]=O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MMP13 P45452 2/20 0.50
CHRM2 P08172 2/20 0.50
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HDAC1 Q13547 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
FAAH O00519 1/20 0.46
CMA1 P23946 1/20 0.45
IDO1 P14902 1/20 0.45
AGXT P21549 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL3305886 0.94 CHRM2 (0.55) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL24061764 0.81 CHRM2 (0.60) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL5542951 0.80 TSHR (0.47) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL18664540 0.80 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL3305905 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL5548182 0.78 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL7444665 0.78 CHRM2 (0.66) ALDH1A1KDM4EMEN1KMT2ACHRM2
SCHEMBL7638550 0.78 CHRM2 (0.55) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL5537784 0.77 HDAC4 (0.44) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL7287770 0.76 CHRM2 (0.62) ALDH1A1SMN1; SMN2HTTKDM4EMEN1

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 ALDH1A1 469/4885SMN1; SMN2 1299/4885HTT 3080/4885

“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.